| SpectraBase Spectrum ID |
Hun4NWShogW |
| Name |
Nefazodone-M (HO-phenyl-) AC |
| Classification |
Antidepressant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
527.229932291 u |
| Formula |
C27H34ClN5O4 |
| InChI |
InChI=1S/C27H34ClN5O4/c1-3-26-29-33(13-5-12-30-14-16-31(17-15-30)23-7-4-6-22(28)20-23)27(35)32(26)18-19-36-24-8-10-25(11-9-24)37-21(2)34/h4,6-11,20H,3,5,12-19H2,1-2H3 |
| InChIKey |
YJDMYEGCPJJNIK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
528.053 g/mol |
| SMILES |
CCC1=NN(C(N1CCOc1ccc(OC(=O)C)cc1)=O)CCCN1CCN(c2cc(Cl)ccc2)CC1 |
| SPLASH |
splash10-03di-4956000000-5f0946a0a567722193be |
| 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_5306 |
