SpectraBase Spectrum ID |
4pZh2OVOwC |
Name |
Pitofenone |
CAS Registry Number |
54063-52-4 |
Classification |
Antispasmotic |
Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
367.178358285 u |
Formula |
C22H25NO4 |
InChI |
InChI=1S/C22H25NO4/c1-26-22(25)20-8-4-3-7-19(20)21(24)17-9-11-18(12-10-17)27-16-15-23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-16H2,1H3 |
InChIKey |
NZHMAQSCHUSSSJ-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
367.445 g/mol |
SMILES |
c1cccc(C(=O)c2ccc(cc2)OCCN2CCCCC2)c1C(=O)OC |
SPLASH |
splash10-0002-9000000000-5bfc3a972032796ce1f0 |
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_3994 |