| SpectraBase Spectrum ID |
JJ03kuS9Jse |
| Name |
Piperidylthiambutene |
| CAS Registry Number |
64037-51-0 |
| Classification |
Opioid analgesic |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
303.111542028 u |
| Formula |
C17H21NS2 |
| InChI |
InChI=1S/C17H21NS2/c1-14(18-9-3-2-4-10-18)13-15(16-7-5-11-19-16)17-8-6-12-20-17/h5-8,11-14H,2-4,9-10H2,1H3 |
| InChIKey |
FQRWJLVMJCKSME-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
303.482 g/mol |
| Nominal Mass |
303 u |
| Quality |
998 |
| Retention Index |
2254 |
| SMILES |
C(C=1SC=CC1)(C=1SC=CC1)=CC(N1CCCCC1)C |
| SPLASH |
splash10-000i-3980000000-8458b21e03cc3fd4a7bd |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Piperidinothon
1-(4,4-Di(thiophen-2-yl)but-3-en-2-yl)piperidine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_028558 |
