Citronelloxyacetaldehyde → HCID 10988125, 화합물
반응식
[CH2:1]([O:11][CH2:12][CH:13]=[O:14])[CH2:2][CH:3]([CH2:5][CH2:6][CH:7]=[C:8]([CH3:10])[CH3:9])C.CC1C2C=[C:22]3[O:25][CH2:26]C(=O)CO[C:21]3=CC=2CC1>>[CH3:10][C:8]1([CH3:9])[C:3]2[CH:2]=[C:1]3[O:11][CH2:12][C:13](=[O:14])[CH2:26][O:25][C:22]3=[CH:21][C:5]=2[CH2:6][CH2:7]1참가 물질
3
실험 절차
Odor: Marine-aldehyde-like, floral-rosy odor with nuances of citronelloxyacetaldehyde [(3,7-dimethyl-6-octenyl)oxyacetaldehyde]. -IR (film): ν=1322/1253/1281/1350 cm−1 (ν ring), 1040/1067 cm−1 (ν C—O—C), 1484/1438 cm−1 (ν C═C, Ar), 1736 cm−1 (ν C═O). 1H-NMR (CDCl3): δ=1.22 (s, 6H, 1-Me2), 1.92 (t, J=7.2 Hz, 2H, 2-H2), 2.79 (t, J=7.2 Hz, 2H, 3-H2), 4.67 (d, J=2.8 Hz, 4H, 6-, 8-H2), 6.75 (s, 1H, 4-H), 6.81 (s, 1H, 10-H). -13C-NMR (CDCl3): δ=28.43 (2q, 1-Me2), 29.29 (t, C-3), 41.68 (t, C-2), 43.61 (s, C-1), 75.47/75.51 (2t, C-6,-8), 113.99 (d, C-10), 116.31 (d, C-4), 138.98 (s, C-3a), 146.83/147.22 (2s, C-4a, -9a), 148.30 (s, C-10a), 205.06 (s, C-7). -MS (EI): m/z (%)=133 (33) [C9H9O+], 145 (6) [C11H13+], 161 (7) [M+-CH3-2CO], 189 (2) [M+-CH3—CO], 217 (100) [M+-CH3], 232 (30) [M+].
출처 및 근거
- ORD 기록
- ord-4b513ac6222b4eff9bf5774dee9f78d8
- 출처 데이터셋
- uspto-grants-2007_06