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2-Naphthalenecarboxylic acid, decahydro-8-hydroxy-8-methyl-, methyl ester, (2.alpha.,4a.alpha.,8.beta.,8a.beta.)-
SpectraBase Compound ID KaXPQrtsG4A
InChI InChI=1S/C13H22O3/c1-13(15)7-3-4-9-5-6-10(8-11(9)13)12(14)16-2/h9-11,15H,3-8H2,1-2H3/t9-,10-,11-,13+/m1/s1
InChIKey XBRFXXKBCUPNEN-UZWSLXQKSA-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 AWywFGsHCF5
Name 2-Naphthalenecarboxylic acid, decahydro-8-hydroxy-8-methyl-, methyl ester, (2.alpha.,4a.alpha.,8.beta.,8a.beta.)-
CAS Registry Number 68228-34-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-13(15)7-3-4-9-5-6-10(8-11(9)13)12(14)16-2/h9-11,15H,3-8H2,1-2H3/t9-,10-,11-,13+/m1/s1
InChIKey XBRFXXKBCUPNEN-UZWSLXQKSA-N
Molecular Weight 226.316 g/mol
SMILES O[C@@]1([C@@]2(C[C@](C(=O)OC)(CC[C@]2(CCC1)[H])[H])[H])C
SPLASH splash10-0007-9600000000-4e5a6d8177336e904963
Source of Spectrum F-34-1238-0
Synonyms 8.beta.-hydroxy-8-methyl-2.beta.-methoxycarbonyl-4a.beta.,8a.alpha.-perhydronapthalene Methyl (2R,4aR,8S,8aR)-8-hydroxy-8-methyldecahydro-2-naphthalenecarboxylate
Wiley ID 1227554