SpectraBase Spectrum ID |
CyRL93rLDQZ |
Name |
Propallylonal |
CAS Registry Number |
545-93-7 |
Classification |
Hypnotic |
Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
288.010955284 u |
Formula |
C10H13BrN2O3 |
InChI |
InChI=1S/C10H13BrN2O3/c1-5(2)10(4-6(3)11)7(14)12-9(16)13-8(10)15/h5H,3-4H2,1-2H3,(H2,12,13,14,15,16) |
InChIKey |
KTGWBBOJAGDSHN-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
289.129 g/mol |
SMILES |
C1(=O)C(CC(Br)=C)(C(=O)NC(N1)=O)C(C)C |
SPLASH |
splash10-066r-4940000000-4882ede1b3e52bbc8946 |
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 G U UHY UHYAC |
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_921 |