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(1S,2R,3S)-1-Benzoyloxy-3-tert-butyl-2-hydroxycyclohexane
SpectraBase Compound ID D8SegCJQGBc
InChI InChI=1S/C17H24O3/c1-17(2,3)13-10-7-11-14(15(13)18)20-16(19)12-8-5-4-6-9-12/h4-6,8-9,13-15,18H,7,10-11H2,1-3H3/t13-,14+,15-/m1/s1
InChIKey JVMGXBFTNPWCRA-QLFBSQMISA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SOWbi65zs
Name (1S,2R,3S)-1-Benzoyloxy-3-tert-butyl-2-hydroxycyclohexane
Alternate Name(s) (1S,2R,3S)-3-(tert-butyl)-2-hydroxycyclohexyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-17(2,3)13-10-7-11-14(15(13)18)20-16(19)12-8-5-4-6-9-12/h4-6,8-9,13-15,18H,7,10-11H2,1-3H3/t13-,14+,15-/m1/s1
InChIKey JVMGXBFTNPWCRA-QLFBSQMISA-N
Literature Reference DOI 10.1002/adsc.200900818
Molecular Weight 276.376 g/mol
SMILES O[C@]1([C@](CCC[C@]1(C(C)(C)C)[H])(OC(c1ccccc1)=O)[H])[H]
SPLASH splash10-0a4j-5900000000-a0f02e55ec66ca8d5d4e
Source of Spectrum ASC-352-863-8c
Wiley ID 1764306