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Lamotrigine
SpectraBase Compound ID ByOCR35gpUf
InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
InChIKey PYZRQGJRPPTADH-UHFFFAOYSA-N
Mol Weight 256.1 g/mol
Molecular Formula C9H7Cl2N5
Exact Mass 255.007851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVIsqoZHt7A
Name Lamotrigine
CAS Registry Number 84057-84-1
Classification Pharmaceutical drug, antiepileptic
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 255.007850645 u
Formula C9H7Cl2N5
InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
InChIKey PYZRQGJRPPTADH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 256.096 g/mol
Nominal Mass 255 u
Quality 1000
Retention Index 2453
SMILES NC=1N=NC(=C(N1)N)C=1C(=C(C=CC1)Cl)Cl
SPLASH splash10-000i-3910000000-fdf1f64362f920a270eb
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Lamictal 6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine
Technique GC/MS
Wiley ID DD2024_023513