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1-Cyclohexenyldeca-7,8-dien-1-yn-3-one
SpectraBase Compound ID 3g7BnnV1R6q
InChI InChI=1S/C16H20O/c1-2-3-4-5-9-12-16(17)14-13-15-10-7-6-8-11-15/h2,4,10H,5-9,11-12H2,1H3
InChIKey JMQYJZOVVOPKAP-UHFFFAOYSA-N
Mol Weight 228.33 g/mol
Molecular Formula C16H20O
Exact Mass 228.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DoZbxFGKoDm
Name 1-Cyclohexenyldeca-7,8-dien-1-yn-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O
InChI InChI=1S/C16H20O/c1-2-3-4-5-9-12-16(17)14-13-15-10-7-6-8-11-15/h2,4,10H,5-9,11-12H2,1H3
InChIKey JMQYJZOVVOPKAP-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol702654x
Molecular Weight 228.335 g/mol
SMILES C(=C=CC)CCCC(=O)C#CC=1CCCCC1
SPLASH splash10-00b9-8920000000-bfdd08ddc167d809666f
Source of Spectrum A1-10-705/SMS10-7c
Synonyms 1-(cyclohex-1-en-1-yl)deca-7,8-dien-1-yn-3-one
Wiley ID 1758977