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Benzene, [(1-nitro-1-heptenyl)thio]-, (Z)-
SpectraBase Compound ID BW1JXzhV4l7
InChI InChI=1S/C13H17NO2S/c1-2-3-4-8-11-13(14(15)16)17-12-9-6-5-7-10-12/h5-7,9-11H,2-4,8H2,1H3/b13-11-
InChIKey UTKXWUCUNOUPLT-QBFSEMIESA-N
Mol Weight 251.34 g/mol
Molecular Formula C13H17NO2S
Exact Mass 251.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KBAJlhySpWb
Name Benzene, [(1-nitro-1-heptenyl)thio]-, (Z)-
CAS Registry Number 132364-57-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO2S
InChI InChI=1S/C13H17NO2S/c1-2-3-4-8-11-13(14(15)16)17-12-9-6-5-7-10-12/h5-7,9-11H,2-4,8H2,1H3/b13-11-
InChIKey UTKXWUCUNOUPLT-QBFSEMIESA-N
Molecular Weight 251.344 g/mol
SMILES c1(S\C(N(=O)=O)=C\CCCCC)ccccc1
SPLASH splash10-0002-9020000000-d1e9c6cf06770c35b900
Source of Spectrum F-46-7436-1
Synonyms (1Z)-1-nitro-1-heptenyl phenyl sulfide 1-Nitro-1-phenylthio-1-heptene {[(1Z)-1-nitro-1-heptenyl]sulfanyl}benzene
Wiley ID 1254445