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(1R,2R,4S)-1-isopropyl-4,7-dimethyl-tetralin-1,2,6-triol
SpectraBase Compound ID GGBM6ru7a4l
InChI InChI=1S/C15H22O3/c1-8(2)15(18)12-5-10(4)13(16)7-11(12)9(3)6-14(15)17/h5,7-9,14,16-18H,6H2,1-4H3/t9-,14+,15+/m0/s1
InChIKey CBQXOSRRUVUEKT-TZTCFGBESA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwAOYgjakjt
Name (1R,2R,4S)-1-isopropyl-4,7-dimethyl-tetralin-1,2,6-triol
CAS Registry Number 101688-43-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-8(2)15(18)12-5-10(4)13(16)7-11(12)9(3)6-14(15)17/h5,7-9,14,16-18H,6H2,1-4H3/t9-,14+,15+/m0/s1
InChIKey CBQXOSRRUVUEKT-TZTCFGBESA-N
Molecular Weight 250.338 g/mol
SMILES O[C@@]1(C[C@@](c2c([C@@]1(C(C)C)O)cc(c(c2)O)C)(C)[H])[H]
SPLASH splash10-01p9-0920000000-0bc6c240676d36790060
Source of Spectrum B-39-118-11
Synonyms (1S,3R,4S)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene-3,4,7-triol (1S,3R,4R)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene-3,4,7-triol (1R,2R,4S)-4,7-dimethyl-1-propan-2-yl-3,4-dihydro-2H-naphthalene-1,2,6-triol
Wiley ID 1253624