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1-(2',4'-Dinitrophenyl)-1,2,3,4-tetrahydro-isoquinoline-2-carboxylic acid
SpectraBase Compound ID JU0gKkaBtTi
InChI InChI=1S/C16H13N3O6/c20-16(21)17-8-7-10-3-1-2-4-12(10)15(17)13-6-5-11(18(22)23)9-14(13)19(24)25/h1-6,9,15H,7-8H2,(H,20,21)
InChIKey MDMLDKLXNKTDNE-UHFFFAOYSA-N
Mol Weight 343.3 g/mol
Molecular Formula C16H13N3O6
Exact Mass 343.080435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MaUB3lOQ4K
Name 1-(2',4'-Dinitrophenyl)-1,2,3,4-tetrahydro-isoquinoline-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O6
InChI InChI=1S/C16H13N3O6/c20-16(21)17-8-7-10-3-1-2-4-12(10)15(17)13-6-5-11(18(22)23)9-14(13)19(24)25/h1-6,9,15H,7-8H2,(H,20,21)
InChIKey MDMLDKLXNKTDNE-UHFFFAOYSA-N
Molecular Weight 343.295 g/mol
SMILES OC(N1C(c2c(CC1)cccc2)c1c(cc(cc1)N(=O)=O)N(=O)=O)=O
SPLASH splash10-0n30-1491000000-c1947dedbf30e67d4341
Source of Spectrum K1-2003-2319-12
Synonyms 1-(2,4-dinitrophenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxylic acid
Wiley ID 1521200