Debug Info

object
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_id
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A6JRvchDN0A
spectrumID
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A6JRvchDN0A
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Mass Spectrum (GC)
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(all-Z)-1-(2-Oxotetrahydropyran-6-yl)pentadeca-1,3,6,9,12-pentaene
SpectraBase Compound ID 9MRgmzuenwR
InChI InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(21)22-19/h3-4,6-7,9-10,12-14,16,19H,2,5,8,11,15,17-18H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-14-
InChIKey LCGUUPWVZDRMGP-VETVSMCYSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6JRvchDN0A
Name (all-Z)-1-(2-Oxotetrahydropyran-6-yl)pentadeca-1,3,6,9,12-pentaene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(21)22-19/h3-4,6-7,9-10,12-14,16,19H,2,5,8,11,15,17-18H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-14-
InChIKey LCGUUPWVZDRMGP-VETVSMCYSA-N
Molecular Weight 300.442 g/mol
SMILES C1(OC(CCC1)\C=C/C=C\C\C=C/C\C=C/C\C=C/CC)=O
SPLASH splash10-0006-9000000000-2f8917822f2b8e7d7fc5
Source of Spectrum K-2001-1944-0
Synonyms 6-[(1Z,3Z,6Z,9Z,12Z)-1,3,6,9,12-pentadecapentaenyl]tetrahydro-2H-pyran-2-one
Wiley ID 1579475
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