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Benzene, 1-(1-chloro-2-methyl-1-butenyl)-4-nitro-, (E)-
SpectraBase Compound ID AfaUbwAPhpX
InChI InChI=1S/C11H12ClNO2/c1-3-8(2)11(12)9-4-6-10(7-5-9)13(14)15/h4-7H,3H2,1-2H3/b11-8+
InChIKey QJKMVUPUIGBALC-DHZHZOJOSA-N
Mol Weight 225.67 g/mol
Molecular Formula C11H12ClNO2
Exact Mass 225.055656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmHyc3Wst4e
Name Benzene, 1-(1-chloro-2-methyl-1-butenyl)-4-nitro-, (E)-
CAS Registry Number 105590-68-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12ClNO2
InChI InChI=1S/C11H12ClNO2/c1-3-8(2)11(12)9-4-6-10(7-5-9)13(14)15/h4-7H,3H2,1-2H3/b11-8+
InChIKey QJKMVUPUIGBALC-DHZHZOJOSA-N
Molecular Weight 225.675 g/mol
SMILES c1(N(=O)=O)ccc(\C(=C/(CC)C)Cl)cc1
SPLASH splash10-004i-1920000000-e3b8b250197456cc2113
Source of Spectrum B-39-294-32
Synonyms 1-[(1E)-1-chloro-2-methyl-1-butenyl]-4-nitrobenzene
Wiley ID 1226245