[1-(Allylsulfanyl)-2-nitroethyl]benzene

SpectraBase Compound ID	5YFg4rXopCS
InChI	InChI=1S/C11H13NO2S/c1-2-8-15-11(9-12(13)14)10-6-4-3-5-7-10/h2-7,11H,1,8-9H2
InChIKey	RUNHUJXAJXBDOV-UHFFFAOYSA-N Google Search
Mol Weight	223.29 g/mol
Molecular Formula	C11H13NO2S
Exact Mass	223.0667 g/mol

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SpectraBase Spectrum ID	LWL0c0miNpo
Name	[1-(Allylsulfanyl)-2-nitroethyl]benzene
CAS Registry Number	127865-39-8
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C11H13NO2S
InChI	InChI=1S/C11H13NO2S/c1-2-8-15-11(9-12(13)14)10-6-4-3-5-7-10/h2-7,11H,1,8-9H2
InChIKey	RUNHUJXAJXBDOV-UHFFFAOYSA-N
Molecular Weight	223.290 g/mol
SMILES	C=CCSC(CN(=O)=O)c1ccccc1
SPLASH	splash10-0udi-0910000000-a40ce053a7b50946b993
Source of Spectrum	J-55-5507-7
Synonyms	(2-nitro-1-prop-2-enylsulfanyl-ethyl)benzene Benzene, [2-nitro-1-(2-propenylthio)ethyl]- [1-(allylthio)-2-nitro-ethyl]benzene [2-nitro-1-(prop-2-enylthio)ethyl]benzene (2-nitro-1-prop-2-enylsulfanylethyl)benzene
Wiley ID	1223842