| SpectraBase Spectrum ID |
Dok5bGbn7YW |
| Name |
Terfenadine 2AC |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
555.334858929 u |
| Formula |
C36H45NO4 |
| InChI |
InChI=1S/C36H45NO4/c1-27(38)40-34(29-18-20-30(21-19-29)35(3,4)5)17-12-24-37-25-22-33(23-26-37)36(41-28(2)39,31-13-8-6-9-14-31)32-15-10-7-11-16-32/h6-11,13-16,18-21,33-34H,12,17,22-26H2,1-5H3 |
| InChIKey |
OZHYHWCPQHIWSV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
555.759 g/mol |
| Nominal Mass |
555 u |
| Quality |
958 |
| Retention Index |
4201 |
| SMILES |
C(C1CCN(CC1)CCCC(C1=CC=C(C(C)(C)C)C=C1)OC(=O)C)(C1=CC=CC=C1)(C=1C=CC=CC1)OC(=O)C |
| SPLASH |
splash10-001i-3390000000-248cffbdf494b2e3f72b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1-(4-(acetyloxy)-4-(4-tert-butylphenyl)butyl)piperidin-4-yl)(diphenyl)methyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003990 |
