| SpectraBase Spectrum ID |
462SkX9i1A |
| Name |
Labetalol-M isomer-1 artifact 2AC |
| Classification |
Antihypertensive |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
249.136493473 u |
| Formula |
C14H19NO3 |
| InChI |
InChI=1S/C14H19NO3/c1-10(15-11(2)16)4-5-13-6-8-14(9-7-13)18-12(3)17/h6-10H,4-5H2,1-3H3,(H,15,16) |
| InChIKey |
DCNIMTVTYZMKKU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
249.310 g/mol |
| SMILES |
c1(ccc(cc1)OC(=O)C)CCC(NC(=O)C)C |
| SPLASH |
splash10-0a4s-8920000000-48f6375d3aa1faa5e5aa |
| 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: UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Labetalol-M (HO-) isomer-1 artifact 2AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_1702 |
