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Benzene, [1-(1-nitroethyl)-3-butenyl]-, (R*,S*)-
SpectraBase Compound ID 8WeVan0PEkX
InChI InChI=1S/C12H15NO2/c1-3-7-12(10(2)13(14)15)11-8-5-4-6-9-11/h3-6,8-10,12H,1,7H2,2H3/t10-,12-/m1/s1
InChIKey AXGJVCFMUDYRKD-ZYHUDNBSSA-N
Mol Weight 205.26 g/mol
Molecular Formula C12H15NO2
Exact Mass 205.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hU0IuOL9Am
Name Benzene, [1-(1-nitroethyl)-3-butenyl]-, (R*,S*)-
CAS Registry Number 118921-49-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO2
InChI InChI=1S/C12H15NO2/c1-3-7-12(10(2)13(14)15)11-8-5-4-6-9-11/h3-6,8-10,12H,1,7H2,2H3/t10-,12-/m1/s1
InChIKey AXGJVCFMUDYRKD-ZYHUDNBSSA-N
Molecular Weight 205.257 g/mol
SMILES [C@@](N(=O)=O)([C@](c1ccccc1)(CC=C)[H])(C)[H]
SPLASH splash10-014l-3900000000-550762584b6a782af2dc
Source of Spectrum J-54-2395-16
Synonyms {(1S)-1-[(1R)-1-nitroethyl]-3-butenyl}benzene
Wiley ID 1203444