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4-O-DEMETHYLNOTATIC-ACID
SpectraBase Compound ID GJ4KJzISQD5
InChI InChI=1S/C17H14O7/c1-6-4-9(18)7(2)15-12(6)17(22)23-11-5-10(19)13(16(20)21)8(3)14(11)24-15/h4-5,18-19H,1-3H3,(H,20,21)
InChIKey HETZRHDDRHBPKX-UHFFFAOYSA-N
Mol Weight 330.29 g/mol
Molecular Formula C17H14O7
Exact Mass 330.073953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C48fyE1g5gQ
Name 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-1,4,6-trimethyl-11-oxo-
CAS Registry Number 50489-46-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14O7
InChI InChI=1S/C17H14O7/c1-6-4-9(18)7(2)15-12(6)17(22)23-11-5-10(19)13(16(20)21)8(3)14(11)24-15/h4-5,18-19H,1-3H3,(H,20,21)
InChIKey HETZRHDDRHBPKX-UHFFFAOYSA-N
Molecular Weight 330.292 g/mol
SMILES OC(c1c(c2Oc3c(c(cc(c3C)O)C)C(Oc2cc1O)=O)C)=O
SPLASH splash10-001r-0197000000-274d23f475111cd64f83
Source of Spectrum B-30-1304-0
Synonyms 3,8-Dihydro-1,4,6-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid 3,8-Dihydroxy-1,4,6-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid Nornotatic acid
Wiley ID 1327680