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5,11-Imino-5H,11H-[1,5]dithiocino[2,3-b:6,7-b']dipyridine-13-propanoi c acid
SpectraBase Compound ID 5wkTowANHKx
InChI InChI=1S/C15H13N3O2S2/c19-11(20)5-8-18-14-9-3-1-6-16-12(9)21-15(18)10-4-2-7-17-13(10)22-14/h1-4,6-7,14-15H,5,8H2,(H,19,20)/t14-,15-/m1/s1
InChIKey LHGWFKBJHMDXKB-HUUCEWRRSA-N
Mol Weight 331.41 g/mol
Molecular Formula C15H13N3O2S2
Exact Mass 331.044919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2D2hW1BjJw
Name 5,11-Imino-5H,11H-[1,5]dithiocino[2,3-b:6,7-b']dipyridine-13-propanoi c acid
CAS Registry Number 72397-24-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13N3O2S2
InChI InChI=1S/C15H13N3O2S2/c19-11(20)5-8-18-14-9-3-1-6-16-12(9)21-15(18)10-4-2-7-17-13(10)22-14/h1-4,6-7,14-15H,5,8H2,(H,19,20)/t14-,15-/m1/s1
InChIKey LHGWFKBJHMDXKB-HUUCEWRRSA-N
Molecular Weight 331.408 g/mol
SMILES OC(CCN1[C@@]2(Sc3c([C@]1(Sc1ncccc21)[H])cccn3)[H])=O
SPLASH splash10-0kai-1796000000-0ca1526e1e4854187f7e
Source of Spectrum F-35-872-0
Synonyms 13-Carboxyethyl-5,11-imino-5H,11H-dipyrido[2,3-b:2',3'-f][1,5]dithiocine 3-(8,16-dithia-6,14,17-triazatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2,4,6,10,12,14-hexaen-17-yl)propanoic acid
Wiley ID 1328539