| SpectraBase Spectrum ID |
3xUmdwjq3U |
| Name |
RO 15-4513 |
| CAS Registry Number |
91917-65-6 |
| Classification |
Antagonist of
ethanol |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
326.112738332 u |
| Formula |
C15H14N6O3 |
| InChI |
InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3 |
| InChIKey |
CFSOJZTUTOQNIA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
326.316 g/mol |
| SMILES |
CN1Cc2[n](cnc2C(OCC)=O)-c2c(C1=O)cc(N=[N+]=[N-])cc2 |
| SPLASH |
splash10-0fb9-4892000000-d6075a01e08962cc0397 |
| 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_3682 |
