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trans-1,1,4a-trimethyl-2,3,4,4a,9,9ahexahydro-1H-xanthene
SpectraBase Compound ID 4YPxUM15o3O
InChI InChI=1S/C16H22O/c1-15(2)9-6-10-16(3)14(15)11-12-7-4-5-8-13(12)17-16/h4-5,7-8,14H,6,9-11H2,1-3H3/t14-,16-/m1/s1
InChIKey UDJCZXGJYFBOFE-GDBMZVCRSA-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 JGMSsqcdxu4
Name trans-1,1,4a-trimethyl-2,3,4,4a,9,9ahexahydro-1H-xanthene
Alternate Name(s) (4aR,9aR)-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O
InChI InChI=1S/C16H22O/c1-15(2)9-6-10-16(3)14(15)11-12-7-4-5-8-13(12)17-16/h4-5,7-8,14H,6,9-11H2,1-3H3/t14-,16-/m1/s1
InChIKey UDJCZXGJYFBOFE-GDBMZVCRSA-N
Literature Reference DOI 10.1039/c4gc01990c
Molecular Weight 230.351 g/mol
SMILES CC1(C)[C@]2(Cc3ccccc3O[C@@]2(CCC1)C)[H]
SPLASH splash10-0ac0-4920000000-53a49295c072f6ee3bd2
Source of Spectrum GCH-17-837/SMS11-trans_12b'
Wiley ID 1755490