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2-(Alloxycarbonyl)-3-benzyl-1,2,3,4-tetrahydro-1-phthazinecarboxylic acid methyl ester
SpectraBase Compound ID 2BKBANoLnv1
InChI InChI=1S/C21H22N2O4/c1-3-13-27-21(25)23-19(20(24)26-2)18-12-8-7-11-17(18)15-22(23)14-16-9-5-4-6-10-16/h3-12,19H,1,13-15H2,2H3
InChIKey XYFCTQBMRREADM-UHFFFAOYSA-N
Mol Weight 366.42 g/mol
Molecular Formula C21H22N2O4
Exact Mass 366.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJT6pfphSyY
Name 2-(Alloxycarbonyl)-3-benzyl-1,2,3,4-tetrahydro-1-phthazinecarboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O4
InChI InChI=1S/C21H22N2O4/c1-3-13-27-21(25)23-19(20(24)26-2)18-12-8-7-11-17(18)15-22(23)14-16-9-5-4-6-10-16/h3-12,19H,1,13-15H2,2H3
InChIKey XYFCTQBMRREADM-UHFFFAOYSA-N
Molecular Weight 366.417 g/mol
SMILES C1(N(N(Cc2ccccc12)Cc1ccccc1)C(=O)OCC=C)C(=O)OC
SPLASH splash10-0a4l-9924000000-612dee05ed291fee0195
Source of Spectrum F-49-8621-44
Synonyms 2-Allyl 1-methyl 3-benzyl-3,4-dihydro-1,2(1H)-phthalazinedicarboxylate 3-(Phenylmethyl)-1,4-dihydrophthalazine-1,2-dicarboxylic acid O1-methyl ester O2-prop-2-enyl ester 1-O-methyl 2-O-prop-2-enyl 3-benzyl-1,4-dihydrophthalazine-1,2-dicarboxylate O2-allyl O1-methyl 3-benzyl-1,4-dihydrophthalazine-1,2-dicarboxylate O1-methyl O2-prop-2-enyl 3-(phenylmethyl)-1,4-dihydrophthalazine-1,2-dicarboxylate
Wiley ID 788299