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Benzene, [1-(1-nitroethyl)-2-heptenyl]-, [R*,R*-(E)]-
SpectraBase Compound ID 3b7v39tLGS9
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-MVHRNJCLSA-N
Mol Weight 247.34 g/mol
Molecular Formula C15H21NO2
Exact Mass 247.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1z9TasZCwzK
Name Benzene, [1-(1-nitroethyl)-2-heptenyl]-, [R*,R*-(E)]-
CAS Registry Number 119729-88-3
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-MVHRNJCLSA-N
Molecular Weight 247.338 g/mol
SMILES [C@@](N(=O)=O)([C@](\C=C\CCCC)(c1ccccc1)[H])(C)[H]
SPLASH splash10-00kf-3920000000-e5399352a6d09a0dc40e
Source of Spectrum F-43-5415-3
Synonyms Erythro-2-nitro-3-phenylnon-4-ene Erythro-4-propyl-5-phenyl-6-nitrohept-3-ene {(1R,2E)-1-[(1R)-1-nitroethyl]-2-heptenyl}benzene
Wiley ID 1250143