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rac-(5R,8S)-5-iso-Propyl-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
SpectraBase Compound ID 8oA2nhTEMwD
InChI InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h7-10,12,16H,5-6H2,1-4H3/t10-,12+/m0/s1
InChIKey UTBFITAKBXMXCZ-CMPLNLGQSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7E19RJyw5Dn
Name rac-(5R,8S)-5-iso-Propyl-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
Appearance Slightly yellow oil
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.167065327 u
Formula C15H22O
GC Oven Program Oven temp 300 oC
InChI InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h7-10,12,16H,5-6H2,1-4H3/t10-,12+/m0/s1
InChIKey UTBFITAKBXMXCZ-CMPLNLGQSA-N
Instrument Name Agilent GC6890-HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200058
Molecular Weight 218.340 g/mol
Quality 242
SMILES OC1=CC=2[C@](CC[C@@](C2C=C1C)(C(C)C)[H])(C)[H]
SPLASH splash10-004i-0900000000-f1baf59a467d23356243
Sample Comments dr = 86:14, ((+/-)-7-hydroxy-trans-calamenene
Source of Spectrum K1-2022-SM50-rac-3b (DOI: 10.1002/ejoc.202200058)
Thin-Layer Chromatography 0.5 (SiO2, cHex/EtOAc, 5:1)
Wiley ID 1898715