| SpectraBase Spectrum ID |
1VQB6mzBZ2G |
| Name |
Benzquinamide |
| CAS Registry Number |
63-12-7 |
| Classification |
Antihistamine |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
404.231122133 u |
| Formula |
C22H32N2O5 |
| InChI |
InChI=1S/C22H32N2O5/c1-6-23(7-2)22(26)17-13-24-9-8-15-10-20(27-4)21(28-5)11-16(15)18(24)12-19(17)29-14(3)25/h10-11,17-19H,6-9,12-13H2,1-5H3 |
| InChIKey |
JSZILQVIPPROJI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
404.507 g/mol |
| SMILES |
c1(c(OC)cc2CCN3C(c2c1)CC(C(C(N(CC)CC)=O)C3)OC(C)=O)OC |
| SPLASH |
splash10-0a4i-1291000000-e0c043ef8d57a62e7c6d |
| 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: U 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_1777 |
