| SpectraBase Spectrum ID |
8RtsWGuPAhn |
| Name |
Tipranavir artifact (amine) 2me P1512 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.261693988 u |
| Formula |
C27H35NO3 |
| InChI |
InChI=1S/C27H35NO3/c1-5-17-27(18-16-20-10-8-7-9-11-20)19-24(29)25(26(30)31-27)23(6-2)21-12-14-22(15-13-21)28(3)4/h7-15,23,30H,5-6,16-19H2,1-4H3 |
| InChIKey |
QZKYHEYLCDNZRM-UHFFFAOYSA-N |
| Molecular Weight |
421.581 g/mol |
| SMILES |
CN(C)C1=CC=C(C=C1)C(CC)C1=C(OC(CC1=O)(CCC1=CC=CC=C1)CCC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840772 |
