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Guaiol
SpectraBase Compound ID 7NQjuWXJdMs
InChI InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+/m0/s1
InChIKey TWVJWDMOZJXUID-SDDRHHMPSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9RnqoaJhhe4
Name (4.alpha.H,7.alpha.H,10.alpha.H)-guai-1(5)-en-11-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O
GC Oven Program Oven temp 250oC, Split injector
InChI InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+/m0/s1
InChIKey TWVJWDMOZJXUID-SDDRHHMPSA-N
Instrument Name Agilent 6890N/Agilent 5973N
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.6b01068
Molecular Weight 222.372 g/mol
Optical Rotation [a]D25 = -22 (c = 1, CH2Cl2)
SMILES OC([C@]1(CC2=C(CC[C@@]2(C)[H])[C@](CC1)(C)[H])[H])(C)C
SPLASH splash10-08fr-5900000000-c649f705fe1928504636
Source of Spectrum G4-80-SM127-1
Synonyms Guaiol
Wiley ID 1882123