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8,9-dehydro-9-formylcycloisolongifolene
SpectraBase Compound ID 2AY6JlXKLuq
InChI InChI=1S/C16H22O/c1-13(2)6-10(9-17)7-16-12-5-11(14(16,3)4)8-15(12,13)16/h7,9,11-12H,5-6,8H2,1-4H3/t11-,12+,15?,16?/m0/s1
InChIKey HXODQHBECCCMFP-YNQUZJHLSA-N
Mol Weight 230.35 g/mol
Molecular Formula C16H22O
Exact Mass 230.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5PhbAAsewhG
Name 8,9-dehydro-9-formylcycloisolongifolene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O
InChI InChI=1S/C16H22O/c1-13(2)6-10(9-17)7-16-12-5-11(14(16,3)4)8-15(12,13)16/h7,9,11-12H,5-6,8H2,1-4H3/t11-,12+,15?,16?/m0/s1
InChIKey HXODQHBECCCMFP-YNQUZJHLSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/pca.2863
Molecular Weight 230.351 g/mol
SMILES C1(C23C4(C=C(C1)C=O)[C@@]3(C[C@](C4(C)C)(C2)[H])[H])(C)C
SPLASH splash10-053r-4910000000-47181368f950ac49a97d
Source of Spectrum PA-31-SM14-Fig. S11 E
Wiley ID 1840302