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E-(1S,2R)-2-Phenylcyclohexanyl 4-Hydroxyhept-2-enoate
SpectraBase Compound ID 88EsLJsVJI8
InChI InChI=1S/C19H26O3/c1-2-8-16(20)13-14-19(21)22-18-12-7-6-11-17(18)15-9-4-3-5-10-15/h3-5,9-10,13-14,16-18,20H,2,6-8,11-12H2,1H3/b14-13+/t16?,17-,18+/m1/s1
InChIKey XRDSEYYBQWSILF-UJCMWXEISA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7DAUjBEAH9v
Name E-(1S,2R)-2-Phenylcyclohexanyl 4-Hydroxyhept-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-2-8-16(20)13-14-19(21)22-18-12-7-6-11-17(18)15-9-4-3-5-10-15/h3-5,9-10,13-14,16-18,20H,2,6-8,11-12H2,1H3/b14-13+/t16?,17-,18+/m1/s1
InChIKey XRDSEYYBQWSILF-UJCMWXEISA-N
Molecular Weight 302.414 g/mol
SMILES OC(\C=C\C(O[C@@]1([C@@](c2ccccc2)(CCCC1)[H])[H])=O)CCC
SPLASH splash10-0a6u-4900000000-7eb93cefac65717584c1
Source of Spectrum F-47-6612-5
Synonyms (1S,2R)-2-phenylcyclohexyl (2E)-4-hydroxy-2-heptenoate
Wiley ID 1304997