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3-Hydroperoxy-2-methyl-1,4-dioxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester
SpectraBase Compound ID DYLLaZFalGc
InChI InChI=1S/C12H11NO6/c1-13-10(15)8-6-4-3-5-7(8)9(14)12(13,19-17)11(16)18-2/h3-6,17H,1-2H3
InChIKey LBTAJAZGNCXFEU-UHFFFAOYSA-N
Mol Weight 265.22 g/mol
Molecular Formula C12H11NO6
Exact Mass 265.058637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IreAmTzbqid
Name 3-Hydroperoxy-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 C12H11NO6
InChI InChI=1S/C12H11NO6/c1-13-10(15)8-6-4-3-5-7(8)9(14)12(13,19-17)11(16)18-2/h3-6,17H,1-2H3
InChIKey LBTAJAZGNCXFEU-UHFFFAOYSA-N
Instrument Name GC-MS Shimadzu QP-1000
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.c09
Molecular Weight 265.221 g/mol
SMILES OOC1(N(C)C(=O)c2ccccc2C1=O)C(OC)=O
SPLASH splash10-0h00-2910000000-d2f1dbe1ed2743332303
Source of Spectrum ARK-2009-115-5a
Wiley ID 1869821