| SpectraBase Spectrum ID |
JiVNmhkt6Au |
| Name |
Pentazocine artifact (+H2O) |
| Classification |
Potent analgesic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
303.219829176 u |
| Formula |
C19H29NO2 |
| InChI |
InChI=1S/C19H29NO2/c1-13-17-11-14-5-6-15(21)12-16(14)19(13,4)8-10-20(17)9-7-18(2,3)22/h5-6,12-13,17,21-22H,7-11H2,1-4H3/t13?,17-,19-/m1/s1 |
| InChIKey |
DIIYNIXYUDPJCY-BSTPMOINSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
303.446 g/mol |
| SMILES |
[C@@]12(C)c3c(C[C@](C2C)(N(CC1)CCC(C)(C)O)[H])ccc(c3)O |
| SPLASH |
splash10-001i-3491000000-633cc2efa84e99d19ead |
| 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: UHY |
| 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_588 |
