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Butanoic acid, 4''-propyl[1,1':4',1''-tercyclohexan]-3-yl ester, [1.alpha.[trans(trans)],3.alpha.]-
SpectraBase Compound ID 8emcDl96AeH
InChI InChI=1S/C25H44O2/c1-3-6-19-10-12-20(13-11-19)21-14-16-22(17-15-21)23-8-5-9-24(18-23)27-25(26)7-4-2/h19-24H,3-18H2,1-2H3/t19-,20?,21?,22?,23-,24+/m0/s1
InChIKey SJFRTPWQBNZCAA-RMQPKIBOSA-N
Mol Weight 376.6 g/mol
Molecular Formula C25H44O2
Exact Mass 376.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFjX4bLZ0nh
Name Butanoic acid, 4''-propyl[1,1':4',1''-tercyclohexan]-3-yl ester, [1.alpha.[trans(trans)],3.alpha.]-
Alternate Name(s) (1R,3S)-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl butanoate Butanoic acid, 4''-propyl[1,1':4',1''-tercyclohexan]-3-yl ester, [1.alpha.[trans(trans)],3.alpha.]- r-1-(butyryloxy)-cis-3[trans-4-(trans-4-propylcyclohexyl)cyclohexyl]cyclohexane
CAS Registry Number 101630-56-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H44O2
InChI InChI=1S/C25H44O2/c1-3-6-19-10-12-20(13-11-19)21-14-16-22(17-15-21)23-8-5-9-24(18-23)27-25(26)7-4-2/h19-24H,3-18H2,1-2H3/t19-,20?,21?,22?,23-,24+/m0/s1
InChIKey SJFRTPWQBNZCAA-RMQPKIBOSA-N
Molecular Weight 376.625 g/mol
SMILES C(O[C@]1(C[C@@](C2CCC(CC2)C2CCC(CC2)CCC)(CCC1)[H])[H])(=O)CCC
SPLASH splash10-056r-0019000000-7edcf6b4bf4b99dfc9d3
Source of Spectrum K-119-395-11
Wiley ID 1358071