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[(Z)-1-methyl-2-nitro-prop-1-enyl]benzene
SpectraBase Compound ID 1ky4JnAeZfq
InChI InChI=1S/C10H11NO2/c1-8(9(2)11(12)13)10-6-4-3-5-7-10/h3-7H,1-2H3/b9-8-
InChIKey SMLHUHINFZJSHO-HJWRWDBZSA-N
Mol Weight 177.2 g/mol
Molecular Formula C10H11NO2
Exact Mass 177.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1sVll7xP88j
Name [(Z)-1-methyl-2-nitro-prop-1-enyl]benzene
Alternate Name(s) [(Z)-3-nitrobut-2-en-2-yl]benzene (Z)-(3-Nitrobut-2-en-2-yl)benzene
CAS Registry Number 91923-49-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11NO2
InChI InChI=1S/C10H11NO2/c1-8(9(2)11(12)13)10-6-4-3-5-7-10/h3-7H,1-2H3/b9-8-
InChIKey SMLHUHINFZJSHO-HJWRWDBZSA-N
Literature Reference DOI 10.1002/adsc.201100504
Molecular Weight 177.203 g/mol
SMILES C\C([N+](=O)[O-])=C\(c1ccccc1)C
SPLASH splash10-00kf-9700000000-69e5fa422ad8e1478004
Source of Spectrum ASC-354-111-(Z)_2
Wiley ID 1762617