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1-(5-HYDROXYHEPTA-1,3-DIEN-6-YNYL)-6-(3-HYDROXYPENT-1-EN-4-YNYL)-CYCLOHEPTA-1,3,5-TRIENE;ISOMER-A
SpectraBase Compound ID FhE0PIIkibK
InChI InChI=1S/C19H18O2/c1-3-18(20)12-8-7-10-16-9-5-6-11-17(15-16)13-14-19(21)4-2/h1-2,5-14,18-21H,15H2/b10-7+,12-8+,14-13+
InChIKey YXWUFPVNSRCJEV-MZEQOLKZSA-N
Mol Weight 278.35 g/mol
Molecular Formula C19H18O2
Exact Mass 278.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5f3GC1SSfqG
Name (4E,6E)-7-[6-[(E)-3-hydroxypent-1-en-4-ynyl]-1-cyclohepta-1,3,5-trienyl]-3-hepta-4,6-dien-1-ynol
Alternate Name(s) (4E,6E)-7-[6-[(E)-3-hydroxypent-1-en-4-ynyl]cyclohepta-1,3,5-trien-1-yl]hepta-4,6-dien-1-yn-3-ol (4E,6E)-7-[6-[(E)-3-oxidanylpent-1-en-4-ynyl]cyclohepta-1,3,5-trien-1-yl]hepta-4,6-dien-1-yn-3-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O2
InChI InChI=1S/C19H18O2/c1-3-18(20)12-8-7-10-16-9-5-6-11-17(15-16)13-14-19(21)4-2/h1-2,5-14,18-21H,15H2/b10-7+,12-8+,14-13+
InChIKey YXWUFPVNSRCJEV-MZEQOLKZSA-N
Molecular Weight 278.351 g/mol
SMILES OC(\C=C\C1=CC=CC=C(\C=C\C=C\C(C#C)O)C1)C#C
SPLASH splash10-014i-0920000000-cbe974461b33d3ec0ecb
Source of Spectrum KC-0-1464-18
Wiley ID 781340