| SpectraBase Spectrum ID |
DlryMzIwqSu |
| Name |
Pentazocine |
| CAS Registry Number |
359-83-1 |
| Classification |
Pharmaceutical drug, narcotic analgesic |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
285.209264492 u |
| Formula |
C19H27NO |
| InChI |
InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,9,12-14,18,21H,8,10-11H2,1-4H3/b9-7+/t14?,18-,19-/m1/s1 |
| InChIKey |
YIHSVWARXUWFEV-VEVYZJCBSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
285.431 g/mol |
| Nominal Mass |
285 u |
| Quality |
955 |
| Retention Index |
2275 |
| SMILES |
OC1=CC=2[C@]3(C([C@](N(CC3)\C=C\C(C)C)(CC2C=C1)[H])C)C |
| SPLASH |
splash10-014i-4960000000-6d21d431b87167476ed4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2R,6R,11R)-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2,6-methano-\r3-benzazocin-8-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013350 |
