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4-Isobenzofuranethanol, 1,3-dihydro-.beta.-methyl-5-(1,3,3-trimethylcyclohexyl)-, [R-(R*,S*)]-
SpectraBase Compound ID 9jMRz98GbX9
InChI InChI=1S/C20H30O2/c1-14-11-22-12-16-15(10-21)6-7-17(18(14)16)20(4)9-5-8-19(2,3)13-20/h6-7,14,21H,5,8-13H2,1-4H3/t14-,20-/m0/s1
InChIKey HKWISYVGEXNFFJ-XOBRGWDASA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zOGPPfxeFn
Name 4-Isobenzofuranethanol, 1,3-dihydro-.beta.-methyl-5-(1,3,3-trimethylcyclohexyl)-, [R-(R*,S*)]-
CAS Registry Number 91223-08-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-14-11-22-12-16-15(10-21)6-7-17(18(14)16)20(4)9-5-8-19(2,3)13-20/h6-7,14,21H,5,8-13H2,1-4H3/t14-,20-/m0/s1
InChIKey HKWISYVGEXNFFJ-XOBRGWDASA-N
Molecular Weight 302.458 g/mol
SMILES OCc1c2c(c([C@@]3(CC(C)(C)CCC3)C)cc1)[C@](COC2)(C)[H]
SPLASH splash10-001i-0090000000-f50f59f0d6c4db93551b
Source of Spectrum B-37-1092-0
Synonyms (4R,1'S)-5-(1,3,3-trimethylcyclohexyl)-4-methylisochroman-8-ylmethanol {(4R)-4-methyl-5-[(1S)-1,3,3-trimethylcyclohexyl]-3,4-dihydro-1H-2-benzopyran-8-yl}methanol
Wiley ID 1305128