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(1R,3S,4S,5R)-3,5-Dibutanoyloxy-4-methyl-1-(methoxycarbonyl)cyclohexane

View entire compound with spectra: 1 MS (GC)

(1R,3S,4S,5R)-3,5-Dibutanoyloxy-4-methyl-1-(methoxycarbonyl)cyclohexane
SpectraBase Compound ID 6baJN9jMG7o
InChI InChI=1S/C17H28O6/c1-5-7-15(18)22-13-9-12(17(20)21-4)10-14(11(13)3)23-16(19)8-6-2/h11-14H,5-10H2,1-4H3/t11-,12+,13-,14+
InChIKey CJUNLBXPKRBSEK-KPWCQOOUSA-N
Mol Weight 328.41 g/mol
Molecular Formula C17H28O6
Exact Mass 328.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfXTI5XLbee
Name (1R,3S,4S,5R)-3,5-Dibutanoyloxy-4-methyl-1-(methoxycarbonyl)cyclohexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O6
InChI InChI=1S/C17H28O6/c1-5-7-15(18)22-13-9-12(17(20)21-4)10-14(11(13)3)23-16(19)8-6-2/h11-14H,5-10H2,1-4H3/t11-,12+,13-,14+
InChIKey CJUNLBXPKRBSEK-KPWCQOOUSA-N
Molecular Weight 328.405 g/mol
SMILES [C@@]1([C@]([C@](OC(=O)CCC)(C[C@](C1)(C(=O)OC)[H])[H])(C)[H])(OC(=O)CCC)[H]
SPLASH splash10-00di-9610000000-27d4d9f44dbe9fd1aa04
Source of Spectrum QC-11-3896-19
Synonyms all cis-3,5-Dibutanoyloxy-4-methyl-1-(methoxycarbonyl)cyclohexane Methyl (3S,5S)-3,5-bis(butyryloxy)-4-methylcyclohexanecarboxylate
Wiley ID 860139