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LPSNXAYVHWORBY-NSFATAAJSA-N

View entire compound with spectra: 1 NMR, and 1 MS (GC)

LPSNXAYVHWORBY-NSFATAAJSA-N
SpectraBase Compound ID 76vyXGdUCSN
InChI InChI=1S/C19H14O/c1-16-7-2-3-9-17-10-4-5-11-18(15-17)13-14-19(20)12-6-8-16/h4-6,8,10-14H,15H2,1H3/b12-6+,14-13+,16-8-
InChIKey LPSNXAYVHWORBY-NSFATAAJSA-N
Mol Weight 258.32 g/mol
Molecular Formula C19H14O
Exact Mass 258.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6joy84k6ZaC
Name (2E,5E,7Z)-8-methyl-4-bicyclo[11.4.1]octadeca-1(17),2,5,7,13,15-hexaen-9,11-diynone
Alternate Name(s) (2E,5E,7Z)-8-methylbicyclo[11.4.1]octadeca-1(17),2,5,7,13,15-hexaen-9,11-diyn-4-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14O
InChI InChI=1S/C19H14O/c1-16-7-2-3-9-17-10-4-5-11-18(15-17)13-14-19(20)12-6-8-16/h4-6,8,10-14H,15H2,1H3/b12-6+,14-13+,16-8-
InChIKey LPSNXAYVHWORBY-NSFATAAJSA-N
Molecular Weight 258.320 g/mol
SMILES C#1C#C\C(=C/C=C/C(\C=C\C=2CC(C1)=CC=CC2)=O)C
SPLASH splash10-014i-0090000000-81850c0b69499998bc7e
Source of Spectrum AJ-68-3535-12
Wiley ID 773486