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cis-3-Acetyl-6-(o-hydroxybenzoyl)-1,5,8-trihydroxytetralin
SpectraBase Compound ID 5TlAe1zwjd0
InChI InChI=1S/C19H18O6/c1-9(20)10-6-12-17(15(22)7-10)16(23)8-13(19(12)25)18(24)11-4-2-3-5-14(11)21/h2-5,8,10,15,21-23,25H,6-7H2,1H3/t10-,15-/m0/s1
InChIKey ZZNRDWRYWJGUFB-BONVTDFDSA-N
Mol Weight 342.35 g/mol
Molecular Formula C19H18O6
Exact Mass 342.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rNUuZkDbV8
Name cis-3-Acetyl-6-(o-hydroxybenzoyl)-1,5,8-trihydroxytetralin
CAS Registry Number 90623-93-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O6
InChI InChI=1S/C19H18O6/c1-9(20)10-6-12-17(15(22)7-10)16(23)8-13(19(12)25)18(24)11-4-2-3-5-14(11)21/h2-5,8,10,15,21-23,25H,6-7H2,1H3/t10-,15-/m0/s1
InChIKey ZZNRDWRYWJGUFB-BONVTDFDSA-N
Molecular Weight 342.347 g/mol
SMILES Oc1c(C(c2cc(c3[C@](C[C@](Cc3c2O)(C(=O)C)[H])(O)[H])O)=O)cccc1
SPLASH splash10-00di-0943000000-321db2ea6aba59de3a41
Source of Spectrum J-49-2855-0
Synonyms 1-[(2S,4S)-4,5,8-trihydroxy-7-(2-hydroxybenzoyl)-1,2,3,4-tetrahydro-2-naphthalenyl]ethanone
Wiley ID 1336520