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1H-Indene-5,6-diol, 2-[2-(3,4-dihydroxyphenyl)-1-(hydroxymethyl)ethyl]-, (+)-
SpectraBase Compound ID 3Ps92OdlYKy
InChI InChI=1S/C18H18O5/c19-9-14(3-10-1-2-15(20)16(21)4-10)11-5-12-7-17(22)18(23)8-13(12)6-11/h1-2,4-5,7-8,14,19-23H,3,6,9H2
InChIKey VMEITHDIMDFIEA-UHFFFAOYSA-N
Mol Weight 314.34 g/mol
Molecular Formula C18H18O5
Exact Mass 314.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JaxJDQj8OrJ
Name 1H-Indene-5,6-diol, 2-[2-(3,4-dihydroxyphenyl)-1-(hydroxymethyl)ethyl]-, (+)-
Alternate Name(s) 2-(1-Hydroxymethyl-2-(3',4'-dihydroxyphenyl)-ethyl)-5,6-dihydroxy-indene 2-[1-(3,4-dihydroxybenzyl)-2-hydroxyethyl]-1H-indene-5,6-diol
CAS Registry Number 104086-78-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O5
InChI InChI=1S/C18H18O5/c19-9-14(3-10-1-2-15(20)16(21)4-10)11-5-12-7-17(22)18(23)8-13(12)6-11/h1-2,4-5,7-8,14,19-23H,3,6,9H2
InChIKey VMEITHDIMDFIEA-UHFFFAOYSA-N
Molecular Weight 314.337 g/mol
SMILES Oc1cc2C=C(C(Cc3ccc(c(c3)O)O)CO)Cc2cc1O
SPLASH splash10-0bvl-9812000000-3dea8ef7c614ab0570e8
Source of Spectrum KC-1986-1184-1
Wiley ID 1315105