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2(1H)-Naphthalenone, 4a,5,8,8a-tetrahydro-1-hydroxy-8-(hydroxymethyl)-4a-methyl-, (1.alpha.,4a.alpha.,8.beta.,8a.beta.)-
SpectraBase Compound ID 7s7d4PZbsHi
InChI InChI=1S/C12H16O3/c1-12-5-2-3-8(7-13)10(12)11(15)9(14)4-6-12/h2-4,6,8,10-11,13,15H,5,7H2,1H3/t8-,10+,11+,12+/m0/s1
InChIKey QUGYQMKURCYDNU-JTLRNRKASA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 170xK4bDnJR
Name 2(1H)-Naphthalenone, 4a,5,8,8a-tetrahydro-1-hydroxy-8-(hydroxymethyl)-4a-methyl-, (1.alpha.,4a.alpha.,8.beta.,8a.beta.)-
CAS Registry Number 63780-25-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-12-5-2-3-8(7-13)10(12)11(15)9(14)4-6-12/h2-4,6,8,10-11,13,15H,5,7H2,1H3/t8-,10+,11+,12+/m0/s1
InChIKey QUGYQMKURCYDNU-JTLRNRKASA-N
Molecular Weight 208.257 g/mol
SMILES O[C@@]1(C(C=C[C@@]2([C@@]1([C@](CO)(C=CC2)[H])[H])C)=O)[H]
SPLASH splash10-004i-0900000000-e85b8cc1c026c96d5a2d
Source of Spectrum K-110-2044-0
Synonyms (1S,4aR,8R,8aS)-1-hydroxy-8-(hydroxymethyl)-4a-methyl-4a,5,8,8a-tetrahydro-2(1H)-naphthalenone 4a,5,8,8a.alpha.-tetrahydro-1.beta.-hydroxy-8.alpha.-hydroxymethyl-2(1H)-naphthalinone
Wiley ID 1206820