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3-(1,3-benzodioxol-5-yl)-1-keto-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid
SpectraBase Compound ID GY0zhpfImOM
InChI InChI=1S/C20H19NO7/c1-21-18(10-4-5-13-16(6-10)28-9-27-13)17(20(23)24)11-7-14(25-2)15(26-3)8-12(11)19(21)22/h4-8,17-18H,9H2,1-3H3,(H,23,24)
InChIKey YSIADTHTRFFQPJ-UHFFFAOYSA-N
Mol Weight 385.37 g/mol
Molecular Formula C20H19NO7
Exact Mass 385.116152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63fkMoZI12P
Name 3-(1,3-benzodioxol-5-yl)-1-keto-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid
CAS Registry Number 64036-07-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19NO7
InChI InChI=1S/C20H19NO7/c1-21-18(10-4-5-13-16(6-10)28-9-27-13)17(20(23)24)11-7-14(25-2)15(26-3)8-12(11)19(21)22/h4-8,17-18H,9H2,1-3H3,(H,23,24)
InChIKey YSIADTHTRFFQPJ-UHFFFAOYSA-N
Molecular Weight 385.372 g/mol
SMILES OC(=O)C1c2c(cc(c(c2)OC)OC)C(=O)N(C1c1cc2c(OCO2)cc1)C
SPLASH splash10-03di-0912000000-253657a24b1ec7a285f2
Source of Spectrum J-43-287-0
Synonyms 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
Wiley ID 1362186