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4a(2H)-Naphthalenecarboxylic acid, octahydro-2-hydroxy-, ethyl ester, (2.alpha.,4a.alpha.,8a.beta.)-
SpectraBase Compound ID 27wrqkTevHt
InChI InChI=1S/C13H22O3/c1-2-16-12(15)13-7-4-3-5-10(13)9-11(14)6-8-13/h10-11,14H,2-9H2,1H3/t10-,11-,13+/m1/s1
InChIKey XELIKCDOGPUDLD-WZRBSPASSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1TT3fl9Lzv
Name 4a(2H)-Naphthalenecarboxylic acid, octahydro-2-hydroxy-, ethyl ester, (2.alpha.,4a.alpha.,8a.beta.)-
CAS Registry Number 131229-22-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-2-16-12(15)13-7-4-3-5-10(13)9-11(14)6-8-13/h10-11,14H,2-9H2,1H3/t10-,11-,13+/m1/s1
InChIKey XELIKCDOGPUDLD-WZRBSPASSA-N
Molecular Weight 226.316 g/mol
SMILES O[C@@]1(CC[C@]2(C(=O)OCC)[C@@](C1)(CCCC2)[H])[H]
SPLASH splash10-000i-5900000000-37080d75decf413a4e34
Source of Spectrum F-46-6059-3
Synonyms 4a(2H)-naphthalenexarboxylicacid, octahydro-2-hydroxy-, ethylester Ethyl (2R,4aS,8aR)-2-hydroxyoctahydro-4a(2H)-naphthalenecarboxylate
Wiley ID 1227589