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(1'S*,2'S*)-2'-Isopropyl-5'-methyl-6-pentyl-1',2',3',4'-tetrahydro-[1,1'-biphenyl]-2,4-diol
SpectraBase Compound ID Gt3PjCSRIRY
InChI InChI=1S/C21H32O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-14,18-19,22-23H,5-10H2,1-4H3/t18-,19+/m0/s1
InChIKey RHRYIQNXICLAPT-RBUKOAKNSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Qqe4s7JKq
Name (1'S*,2'S*)-2'-Isopropyl-5'-methyl-6-pentyl-1',2',3',4'-tetrahydro-[1,1'-biphenyl]-2,4-diol
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-14,18-19,22-23H,5-10H2,1-4H3/t18-,19+/m0/s1
InChIKey RHRYIQNXICLAPT-RBUKOAKNSA-N
Instrument Name Fisons VG70-SE or Thermo Finnigan MAT900xp
Ionization Type EI
Literature Reference DOI 10.1002/cmdc.201900548
Molecular Weight 316.485 g/mol
Reported Formula C21H32O2
SMILES Oc1cc(c(c(c1)O)[C@]1([C@@](CCC(=C1)C)(C(C)C)[H])[H])CCCCC
SPLASH splash10-00l2-0392000000-6be883434d0144f829ae
Source of Spectrum CMC-15-SM18-8k
Wiley ID 1839961