| SpectraBase Spectrum ID |
1TwTZqJiBU |
| Name |
Pyritinol |
| CAS Registry Number |
1098-97-1 |
| Classification |
Stimulant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
368.086449476 u |
| Formula |
C16H20N2O4S2 |
| InChI |
InChI=1S/C16H20N2O4S2/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20/h3-4,19-22H,5-8H2,1-2H3 |
| InChIKey |
SIXLXDIJGIWWFU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
368.466 g/mol |
| SMILES |
c1(c(c(c(nc1)C)O)CO)CSSCc1cnc(C)c(c1CO)O |
| SPLASH |
splash10-0gb9-4900000000-2786c35b3b23b1800023 |
| 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_950 |
