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1,6(2H,5H)-Naphthalenedione, hexahydro-5-(2-hydroxyethyl)-5,8a-dimethyl-, (4a.alpha.,5.alpha.,8a.beta.)-(.+-.)-
SpectraBase Compound ID BlZ8JGTfYHF
InChI InChI=1S/C14H22O3/c1-13-7-6-12(17)14(2,8-9-15)10(13)4-3-5-11(13)16/h10,15H,3-9H2,1-2H3/t10-,13+,14-/m1/s1
InChIKey PAKVFCRKXCZUHX-DDTOSNHZSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ULsBHFGYNs
Name 1,6(2H,5H)-Naphthalenedione, hexahydro-5-(2-hydroxyethyl)-5,8a-dimethyl-, (4a.alpha.,5.alpha.,8a.beta.)-(.+-.)-
CAS Registry Number 70000-03-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-13-7-6-12(17)14(2,8-9-15)10(13)4-3-5-11(13)16/h10,15H,3-9H2,1-2H3/t10-,13+,14-/m1/s1
InChIKey PAKVFCRKXCZUHX-DDTOSNHZSA-N
Molecular Weight 238.327 g/mol
SMILES OCC[C@@]1([C@]2([C@@](C(=O)CCC2)(CCC1=O)C)[H])C
SPLASH splash10-0006-9420000000-8b7026b6c320eae73c14
Source of Spectrum KC-1978-1468-0
Synonyms (4aR,5R,8aS)-5-(2-hydroxyethyl)-5,8a-dimethylhexahydro-1,6(2H,5H)-naphthalenedione 5.alpha.-(2-hydroxyethyl-5.beta.,9.beta.-dimethyl-trans-decaline-1,6-dione
Wiley ID 1240765