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Methyl 2-methyl-2-[[(4-nitrophenyl)methyl]thio]propanoate

HCID 57728668
NotesReactions

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Basic informationNames & identifiersRelated reactionsCompound notes
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Basic information

CAS
672932-32-0
Standard SMILES
COC(=O)C(C)(C)SCc1ccc([N+](=O)[O-])cc1
InChIKey
KPTRGSCTEOVNJL-UHFFFAOYSA-N
Molecular formula
C12H15NO4S
Average molar mass
269.322 g/mol
Monoisotopic mass
269.07217896

Names & identifiers

Preferred name
Methyl 2-methyl-2-[[(4-nitrophenyl)methyl]thio]propanoate
IUPAC
Methyl 2-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}propanoate

Database identifiers

CAS
672932-32-0
PubChem CID
57728668
DTXSID
DTXSID001197337

Related reactions

2 records
New reaction record
HRID 1553483 reaction equation
HRID 1553483As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2137550 reaction equation
HRID 2137550As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersRelated reactionsCompound notes