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3-epi CP 47,497-C8-homolog

View entire compound with spectra: 4 MS (GC)

3-epi CP 47,497-C8-homolog
SpectraBase Compound ID 1K6Q0kO9CiU
InChI InChI=1S/C22H36O2/c1-4-5-6-7-8-14-22(2,3)18-12-13-20(21(24)16-18)17-10-9-11-19(23)15-17/h12-13,16-17,19,23-24H,4-11,14-15H2,1-3H3/t17-,19-/m0/s1
InChIKey HNMJDLVMIUDJNH-HKUYNNGSSA-N
Mol Weight 332.5 g/mol
Molecular Formula C22H36O2
Exact Mass 332.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INBKtEVCKie
Name 3-epi CP 47,497-C8-homolog
Alternate Name(s) rel-2-[(1S,3S)-3-hydroxycyclohexyl]-5-(2-methylnonan-2-yl)phenol 2-((1S,3S)-3-hydroxycyclohexyl)-5-(2-methylnonan-2-yl)phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O2
InChI InChI=1S/C22H36O2/c1-4-5-6-7-8-14-22(2,3)18-12-13-20(21(24)16-18)17-10-9-11-19(23)15-17/h12-13,16-17,19,23-24H,4-11,14-15H2,1-3H3/t17-,19-/m0/s1
InChIKey HNMJDLVMIUDJNH-HKUYNNGSSA-N
Molecular Weight 332.528 g/mol
SMILES Oc1cc(ccc1[C@]1(CCC[C@@](C1)(O)[H])[H])C(CCCCCCC)(C)C
SPLASH splash10-00lr-3591000000-80638631ab4ba8bc7220
Source of Spectrum SWG-33-2591-0
Wiley ID 1809726