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2-Oxaspiro[4.5]decane-3-carboxylic acid, 3-ethoxy-1-oxo-8-(phenylmethoxy)-, ethyl ester, trans-(.+-.)-
SpectraBase Compound ID KI1zMCNiCc4
InChI InChI=1S/C21H28O6/c1-3-24-19(23)21(26-4-2)15-20(18(22)27-21)12-10-17(11-13-20)25-14-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3/t17?,20?,21-/m0/s1
InChIKey WRESAWOPVZTCKQ-JITJBCMDSA-N
Mol Weight 376.45 g/mol
Molecular Formula C21H28O6
Exact Mass 376.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6fijgeg8bu9
Name 2-Oxaspiro[4.5]decane-3-carboxylic acid, 3-ethoxy-1-oxo-8-(phenylmethoxy)-, ethyl ester, trans-(.+-.)-
CAS Registry Number 70909-91-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O6
InChI InChI=1S/C21H28O6/c1-3-24-19(23)21(26-4-2)15-20(18(22)27-21)12-10-17(11-13-20)25-14-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3/t17?,20?,21-/m0/s1
InChIKey WRESAWOPVZTCKQ-JITJBCMDSA-N
Molecular Weight 376.449 g/mol
SMILES [C@]1(OC(=O)C2(C1)CCC(OCc1ccccc1)CC2)(C(=O)OCC)OCC
SPLASH splash10-0f7c-6097000000-d48c91b915a132122b1e
Source of Spectrum K-112-1564-0
Synonyms 2-Oxaspiro[4.5]decane-3-carboxylic acid, 3-ethoxy-1-oxo-8-(phenylmethoxy)-, ethyl ester, cis-(.+-.)- Ethyl (3S)-8-(benzyloxy)-3-ethoxy-1-oxo-2-oxaspiro[4.5]decane-3-carboxylate Ethyl ester of 8t-benzyloxy-3-ethoxy-1R-oxo-2-oxaspiro(4.5)decan-3-carboxylic acid Ethylester of 8c-benzyloxy-3-ethoxy-1R-oxo-2-oxaspiro(4.5)decan-3-carboxylic acid
Wiley ID 1357745