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1,1':4',1''-Tercyclohexane, 3-methoxy-4''-propyl-, [1.alpha.[trans(trans)],3.alpha.]-
SpectraBase Compound ID 5Vjg146TA9e
InChI InChI=1S/C22H40O/c1-3-5-17-8-10-18(11-9-17)19-12-14-20(15-13-19)21-6-4-7-22(16-21)23-2/h17-22H,3-16H2,1-2H3/t17?,18?,19-,20?,21-,22-/m1/s1
InChIKey ATMDIAAPEYVYMI-KJSCJDQSSA-N
Mol Weight 320.6 g/mol
Molecular Formula C22H40O
Exact Mass 320.307916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iu5bR9SCVqE
Name 1,1':4',1''-Tercyclohexane, 3-methoxy-4''-propyl-, [1.alpha.[trans(trans)],3.alpha.]-
CAS Registry Number 101630-53-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H40O
InChI InChI=1S/C22H40O/c1-3-5-17-8-10-18(11-9-17)19-12-14-20(15-13-19)21-6-4-7-22(16-21)23-2/h17-22H,3-16H2,1-2H3/t17?,18?,19-,20?,21-,22-/m1/s1
InChIKey ATMDIAAPEYVYMI-KJSCJDQSSA-N
Molecular Weight 320.561 g/mol
SMILES [C@@]1(C2CCC(CC2)C2CCC(CC2)CCC)(C[C@](OC)(CCC1)[H])[H]
SPLASH splash10-000i-0091000000-e0ce48b306e1c58adc58
Source of Spectrum K-119-395-8
Synonyms 1,1':4',1''-tercyclohexane, 3-methoxy-4''-propyl-, [1.alpha.[trans(trans)],3.alpha.]- 1-[(1R,3R)-3-methoxycyclohexyl]-4-(4-propylcyclohexyl)cyclohexane r-1-methoxy-cis-3-[trans-4-(trans-4-propylcyclohexyl)cyclohexyl]cyclohexan
Wiley ID 1320655