| SpectraBase Spectrum ID |
9Wj2T0DXm2S |
| Name |
Nicotinic acid ME |
| CAS Registry Number |
93-60-7 |
| Classification |
Vitamin |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
137.047678467 u |
| Formula |
C7H7NO2 |
| InChI |
InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3 |
| InChIKey |
YNBADRVTZLEFNH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
137.138 g/mol |
| SMILES |
c1cc(cnc1)C(=O)OC |
| SPLASH |
splash10-0kdr-9800000000-98282243844faaeaa62e |
| 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. |
| 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_1151 |
