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Benzene, (2-nitrooctyl)-

View entire compound with spectra: 1 MS (GC)

Benzene, (2-nitrooctyl)-
SpectraBase Compound ID KaZK8pCFxzg
InChI InChI=1S/C14H21NO2/c1-2-3-4-8-11-14(15(16)17)12-13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12H2,1H3
InChIKey CMCADPDEBBNQAV-UHFFFAOYSA-N
Mol Weight 235.33 g/mol
Molecular Formula C14H21NO2
Exact Mass 235.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BH6nfSd1VU
Name Benzene, (2-nitrooctyl)-
CAS Registry Number 118921-50-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO2
InChI InChI=1S/C14H21NO2/c1-2-3-4-8-11-14(15(16)17)12-13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12H2,1H3
InChIKey CMCADPDEBBNQAV-UHFFFAOYSA-N
Molecular Weight 235.327 g/mol
SMILES C(N(=O)=O)(Cc1ccccc1)CCCCCC
SPLASH splash10-0006-8900000000-af14ff31b555545a2c83
Source of Spectrum J-54-2395-16
Synonyms (2-Nitrooctyl)benzene
Wiley ID 1237219