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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 2sYctsrcKu
Name Lamotrigine
CAS Registry Number 84057-84-1
Classification Anticonvulsant
Copyright Copyright © 2023-2024 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
SMILES c1(c(nc(nn1)N)N)-c1c(c(Cl)ccc1)Cl
SPLASH splash10-052r-2920000000-6f70b594638db94b335f
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: P
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_4636