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(E) 2- (Phenylmethyl)-1-nitropent-3-ene
SpectraBase Compound ID BDhSVRCNhty
InChI InChI=1S/C12H15NO2/c1-2-6-12(10-13(14)15)9-11-7-4-3-5-8-11/h2-8,12H,9-10H2,1H3/b6-2+
InChIKey UKLNBHGVCDWKPE-QHHAFSJGSA-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 4txqy1Ydk7d
Name (E) 2- (Phenylmethyl)-1-nitropent-3-ene
Alternate Name(s) (E)-(2-(nitromethyl)pent-3-en-1-yl)benzene
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Formula C12H15NO2
InChI InChI=1S/C12H15NO2/c1-2-6-12(10-13(14)15)9-11-7-4-3-5-8-11/h2-8,12H,9-10H2,1H3/b6-2+
InChIKey UKLNBHGVCDWKPE-QHHAFSJGSA-N
Literature Reference DOI 10.1021/ol500114m
Molecular Weight 205.257 g/mol
SMILES C\C=C\C(Cc1ccccc1)C[N+]([O-])=O
SPLASH splash10-00kf-9300000000-3306b0cc38a302206fe8
Source of Spectrum A1-16-1362/SMS10-2g
Wiley ID 1749187