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

*Links on SpectraBase are not permalinks.
3-Nitrobutan-2-ylbenzene
SpectraBase Compound ID JX35JiTsECn
InChI InChI=1S/C10H13NO2/c1-8(9(2)11(12)13)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKey RIEMLJPYUSFEPN-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C10H13NO2
Exact Mass 179.094629 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 BSWd3mNXKPL
Name (3-nitrobutan-2-yl)benzene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NO2
InChI InChI=1S/C10H13NO2/c1-8(9(2)11(12)13)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKey RIEMLJPYUSFEPN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201100504
Molecular Weight 179.219 g/mol
SMILES C([N+](=O)[O-])(C(c1ccccc1)C)C
SPLASH splash10-000x-6900000000-9c76a9a3ad929e5c9466
Source of Spectrum ASC-354-111-Syn_4
Synonyms 3-Nitrobutan-2-ylbenzene
Wiley ID 1762620