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3-Acetoxy-2-methyl-1,4-dioxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester
SpectraBase Compound ID FNitOeipqzn
InChI InChI=1S/C14H13NO6/c1-8(16)21-14(13(19)20-3)11(17)9-6-4-5-7-10(9)12(18)15(14)2/h4-7H,1-3H3
InChIKey CBTIENKIEMRKPA-UHFFFAOYSA-N
Mol Weight 291.26 g/mol
Molecular Formula C14H13NO6
Exact Mass 291.074287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 97wWwhJ3Yy9
Name 3-Acetoxy-2-methyl-1,4-dioxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO6
InChI InChI=1S/C14H13NO6/c1-8(16)21-14(13(19)20-3)11(17)9-6-4-5-7-10(9)12(18)15(14)2/h4-7H,1-3H3
InChIKey CBTIENKIEMRKPA-UHFFFAOYSA-N
Instrument Name GC-MS Shimadzu QP-1000
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.c09
SMILES CN1C(C(=O)c2ccccc2C1=O)(OC(=O)C)C(OC)=O
SPLASH splash10-0006-1940000000-4a1781869376f5b2829a
Source of Spectrum ARK-2009-117-9
Wiley ID 1869825