For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(Allylthio)-1-nitro-2-methylpropane
SpectraBase Compound ID FCeqrpkRu5x
InChI InChI=1S/C7H13NO2S/c1-4-5-11-7(2,3)6-8(9)10/h4H,1,5-6H2,2-3H3
InChIKey SQSBZTYFPOJMQL-UHFFFAOYSA-N
Mol Weight 175.25 g/mol
Molecular Formula C7H13NO2S
Exact Mass 175.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5CMi3sKG3gw
Name 2-(Allylthio)-1-nitro-2-methylpropane
CAS Registry Number 128869-46-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13NO2S
InChI InChI=1S/C7H13NO2S/c1-4-5-11-7(2,3)6-8(9)10/h4H,1,5-6H2,2-3H3
InChIKey SQSBZTYFPOJMQL-UHFFFAOYSA-N
Molecular Weight 175.246 g/mol
SMILES C(N(=O)=O)C(SCC=C)(C)C
SPLASH splash10-004i-0900000000-0712e139411fee07c08d
Source of Spectrum J-55-5507-12
Synonyms 2-Allylthio-2-methyl-1-nitropropane 3-[(1,1-dimethyl-2-nitroethyl)sulfanyl]-1-propene allyl 1,1-dimethyl-2-nitroethyl sulfide
Wiley ID 1171291