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(E)-(3-methyl-6-nitrohex-4-en-1-yn-1-yl)benzene

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(E)-(3-methyl-6-nitrohex-4-en-1-yn-1-yl)benzene
SpectraBase Compound ID Ka2Ua4hW01s
InChI InChI=1S/C13H13NO2/c1-12(6-5-11-14(15)16)9-10-13-7-3-2-4-8-13/h2-8,12H,11H2,1H3/b6-5+
InChIKey OABLROLEUDEJHN-AATRIKPKSA-N
Mol Weight 215.25 g/mol
Molecular Formula C13H13NO2
Exact Mass 215.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QFlDRigQZ3
Name (E)-(3-methyl-6-nitrohex-4-en-1-yn-1-yl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO2
InChI InChI=1S/C13H13NO2/c1-12(6-5-11-14(15)16)9-10-13-7-3-2-4-8-13/h2-8,12H,11H2,1H3/b6-5+
InChIKey OABLROLEUDEJHN-AATRIKPKSA-N
Literature Reference DOI 10.1021/ol500114m
Molecular Weight 215.252 g/mol
SMILES CC(C#Cc1ccccc1)\C=C\C[N+](=O)[O-]
SPLASH splash10-0gdi-2900000000-43f92a8eddbba0b248e6
Source of Spectrum A1-16-1362/SMS17-3t
Wiley ID 1749206