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1-Phenyl-1-(4,5-cis-di(methoxycarbonyl)cyclohexenyl)ethanol
SpectraBase Compound ID 2PNwehHhujW
InChI InChI=1S/C18H22O5/c1-18(21,12-7-5-4-6-8-12)13-9-10-14(16(19)22-2)15(11-13)17(20)23-3/h4-9,14-15,21H,10-11H2,1-3H3/t14-,15+,18?/m0/s1
InChIKey LYMKVNIBXNEXME-DYNVDGSKSA-N
Mol Weight 318.37 g/mol
Molecular Formula C18H22O5
Exact Mass 318.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2iYagrXQ2
Name 1-Phenyl-1-(4,5-cis-di(methoxycarbonyl)cyclohexenyl)ethanol
Alternate Name(s) Dimethyl (1S,2R)-4-(1-hydroxy-1-phenylethyl)-4-cyclohexene-1,2-dicarboxylate
CAS Registry Number 107146-60-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O5
InChI InChI=1S/C18H22O5/c1-18(21,12-7-5-4-6-8-12)13-9-10-14(16(19)22-2)15(11-13)17(20)23-3/h4-9,14-15,21H,10-11H2,1-3H3/t14-,15+,18?/m0/s1
InChIKey LYMKVNIBXNEXME-DYNVDGSKSA-N
Molecular Weight 318.369 g/mol
SMILES OC(C=1C[C@@](C(=O)OC)([C@](CC1)(C(=O)OC)[H])[H])(c1ccccc1)C
SPLASH splash10-001l-0932000000-3b84cd846dd8f6132202
Source of Spectrum AJ-59-2454-5
Wiley ID 1318521