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Guaiol
SpectraBase Compound ID KIgFFovmBRe
InChI InChI=1S/C15H28O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-14,16H,5-9H2,1-4H3/t10-,11-,12+,13-,14-/m0/s1
InChIKey PAFKTNNJJBQVBA-HPCHECBXSA-N
Mol Weight 224.39 g/mol
Molecular Formula C15H28O
Exact Mass 224.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxYIOyec7KH
Name Guaiol
Carrier Gas Helium (1.0 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.214015521 u
Formula C15H28O
GC Column DB-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C15H28O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-14,16H,5-9H2,1-4H3/t10-,11-,12+,13-,14-/m0/s1
InChIKey PAFKTNNJJBQVBA-HPCHECBXSA-N
Inlet Type split (20:1)
Instrument Name Shimadzu GC/MS-QP 2010SE
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202300793
Molecular Weight 224.388 g/mol
SMILES OC([C@@]1(CC[C@@]([C@]2([C@@](C1)([C@@](C)(CC2)[H])[H])[H])(C)[H])[H])(C)C
SPLASH splash10-0btc-9800000000-4bfbd3bc89c95ed95380
Source of Spectrum CBD-20-SM3-No-35 (DOI: 10.1002/cbdv.202300793)
Wiley ID 1909963