Debug Info

object
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_id
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3abRtP27SBu
spectrumID
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3abRtP27SBu
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3-[(1E)-1-cyclooctenyl]-1-phenyl-1-octyn-3-ol
SpectraBase Compound ID CeLBiGeiBpz
InChI InChI=1S/C22H30O/c1-2-3-12-18-22(23,19-17-20-13-8-7-9-14-20)21-15-10-5-4-6-11-16-21/h7-9,13-15,23H,2-6,10-12,16,18H2,1H3/b21-15+
InChIKey ORFFULHOFLNREV-RCCKNPSSSA-N
Mol Weight 310.48 g/mol
Molecular Formula C22H30O
Exact Mass 310.229666 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3abRtP27SBu
Name 3-[(1E)-1-cyclooctenyl]-1-phenyl-1-octyn-3-ol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O
InChI InChI=1S/C22H30O/c1-2-3-12-18-22(23,19-17-20-13-8-7-9-14-20)21-15-10-5-4-6-11-16-21/h7-9,13-15,23H,2-6,10-12,16,18H2,1H3/b21-15+
InChIKey ORFFULHOFLNREV-RCCKNPSSSA-N
Molecular Weight 310.481 g/mol
SMILES OC(C#Cc1ccccc1)(\C1=C\CCCCCC1)CCCCC
SPLASH splash10-001i-9020000000-7bcc3f5e552a5d87f46b
Source of Spectrum J-63-9227-2
Synonyms 3-[(1E)-cycloocten-1-yl]-1-phenyl-oct-1-yn-3-ol
Wiley ID 1312119
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