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7-Cyanohepta-1,2-dien-4-yl acetate
SpectraBase Compound ID C6wVCKZpPyT
InChI InChI=1S/C10H13NO2/c1-3-6-10(13-9(2)12)7-4-5-8-11/h6,10H,1,4-5,7H2,2H3
InChIKey ISWIPMQUWMCLQS-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C10H13NO2
Exact Mass 179.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 798MeEdZb98
Name 7-Cyanohepta-1,2-dien-4-yl acetate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NO2
InChI InChI=1S/C10H13NO2/c1-3-6-10(13-9(2)12)7-4-5-8-11/h6,10H,1,4-5,7H2,2H3
InChIKey ISWIPMQUWMCLQS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201204346
Molecular Weight 179.219 g/mol
SMILES C=C=CC(CCCC#N)OC(=O)C
SPLASH splash10-0006-9100000000-036d670bf90f4cf5c07f
Source of Spectrum ACI-51-SMS18-1k
Wiley ID 1780593