| SpectraBase Spectrum ID |
DocLKZ0Mvya |
| Name |
Dobutamine 4AC |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
469.210052335 u |
| Formula |
C26H31NO7 |
| InChI |
InChI=1S/C26H31NO7/c1-17(6-7-22-8-11-24(12-9-22)32-19(3)29)27(18(2)28)15-14-23-10-13-25(33-20(4)30)26(16-23)34-21(5)31/h8-13,16-17H,6-7,14-15H2,1-5H3 |
| InChIKey |
ZDHFPRSLOCLTIW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
469.534 g/mol |
| Nominal Mass |
469 u |
| Quality |
924 |
| Retention Index |
3473 |
| SMILES |
C=1(C(=CC=C(C1)CCN(C(CCC1=CC=C(C=C1)OC(=O)C)C)C(=O)C)OC(=O)C)OC(=O)C |
| SPLASH |
splash10-08mi-3980000000-c6cfb02ee69d77fb2f91 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(2-(acetyl(4-(4-(acetyloxy)phenyl)butan-2-yl)amino)ethyl)-2-(acetyloxy)phenyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001231 |
