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(S)-REGIOLONE
SpectraBase Compound ID I7hSdapVayK
InChI InChI=1S/C10H10O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,7,11-12H,4-5H2/t7-/m0/s1
InChIKey ZXYYTDCENDYKBR-ZETCQYMHSA-N
Mol Weight 178.19 g/mol
Molecular Formula C10H10O3
Exact Mass 178.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7g99E2MBWeV
Name 1(2H)-Naphthalenone, 3,4-dihydro-4,8-dihydroxy-, (S)-
CAS Registry Number 54712-38-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O3
InChI InChI=1S/C10H10O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,7,11-12H,4-5H2/t7-/m0/s1
InChIKey ZXYYTDCENDYKBR-ZETCQYMHSA-N
Molecular Weight 178.187 g/mol
SMILES O[C@@]1(c2c(c(ccc2)O)C(CC1)=O)[H]
SPLASH splash10-0fmi-2900000000-fef19103e8ee4489ccf4
Source of Spectrum CD-592-0-0
Synonyms (4S)-4,8-dihydroxy-3,4-dihydro-1(2H)-naphthalenone 4,8-Dihydroxy-1,2,3,4-tetrahydronapthalen-1-one Isosclerone Regiolone (4S)-4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one (4S)-4,8-bis(oxidanyl)-3,4-dihydro-2H-naphthalen-1-one
Wiley ID 1173954