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

*Links on SpectraBase are not permalinks.
Benzene, [1-(1-nitroethyl)-2-heptenyl]-, [R*,S*-(E)]-
SpectraBase Compound ID 9uqa2YGn46W
InChI InChI=1S/C15H21NO2/c1-3-4-5-9-12-15(13(2)16(17)18)14-10-7-6-8-11-14/h6-13,15H,3-5H2,1-2H3/b12-9+/t13-,15-/m1/s1
InChIKey XFDXKNWHBHRVAW-AMWPYFQMSA-N
Mol Weight 247.34 g/mol
Molecular Formula C15H21NO2
Exact Mass 247.157229 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 5ukvu2CWvu7
Name Benzene, [1-(1-nitroethyl)-2-heptenyl]-, [R*,S*-(E)]-
CAS Registry Number 119729-87-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO2
InChI InChI=1S/C15H21NO2/c1-3-4-5-9-12-15(13(2)16(17)18)14-10-7-6-8-11-14/h6-13,15H,3-5H2,1-2H3/b12-9+/t13-,15-/m1/s1
InChIKey XFDXKNWHBHRVAW-AMWPYFQMSA-N
Molecular Weight 247.338 g/mol
SMILES [C@@](N(=O)=O)([C@@](\C=C\CCCC)(c1ccccc1)[H])(C)[H]
SPLASH splash10-014l-5920000000-aaa2adcb5d5258b90e7a
Source of Spectrum F-43-5415-3
Synonyms Threo-2-nitro-3-phenylnon-4-ene Threo-4-propyl-5-phenyl-6-nitrohept-3-ene {(1S,2E)-1-[(1R)-1-nitroethyl]-2-heptenyl}benzene
Wiley ID 1250144