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Methyl 4-[4'-ethynyl-1',4'-cyclohexadien-1'-yl)-3-cyclohexenecarboxylate
SpectraBase Compound ID 7vSbk0vsYMK
InChI InChI=1S/C16H18O2/c1-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18-2/h1,4,7-8,15H,5-6,9-11H2,2H3
InChIKey NCCYBHFMFQRGOA-UHFFFAOYSA-N
Mol Weight 242.32 g/mol
Molecular Formula C16H18O2
Exact Mass 242.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9PrStRv1sQC
Name Methyl 4-[4'-ethynyl-1',4'-cyclohexadien-1'-yl)-3-cyclohexenecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O2
InChI InChI=1S/C16H18O2/c1-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18-2/h1,4,7-8,15H,5-6,9-11H2,2H3
InChIKey NCCYBHFMFQRGOA-UHFFFAOYSA-N
Molecular Weight 242.318 g/mol
SMILES C1(C2=CCC(C(=O)OC)CC2)=CCC(C#C)=CC1
SPLASH splash10-001l-1920000000-0609bb5f7b25ecacd3d4
Source of Spectrum U-1996-821-14
Synonyms Methyl 4-(4-ethynyl-1,4-cyclohexadien-1-yl)-3-cyclohexene-1-carboxylate
Wiley ID 768414