| SpectraBase Spectrum ID |
HBcCbuuQOEh |
| Name |
Isoniazid |
| CAS Registry Number |
54-85-3 |
| Classification |
Tuberculostatic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
137.058911856 u |
| Formula |
C6H7N3O |
| InChI |
InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10) |
| InChIKey |
QRXWMOHMRWLFEY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
137.142 g/mol |
| SMILES |
c1c(ccnc1)C(NN)=O |
| SPLASH |
splash10-0kdi-9600000000-6f50bfe775bd08540ca3 |
| 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-I G U |
| 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_1043 |
