| SpectraBase Compound ID | LZuNExHnkg0 |
|---|---|
| InChI | InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28) |
| InChIKey | ACWBQPMHZXGDFX-UHFFFAOYSA-N |
| Mol Weight | 435.53 g/mol |
| Molecular Formula | C24H29N5O3 |
| Exact Mass | 435.22704 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5WGjalOlvxg |
|---|---|
| Name | Valsartane |
| CAS Registry Number | 137862-53-4 |
| Classification | Pharmaceutical drug, angiotensine antagonist |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 435.227039811 u |
| Formula | C24H29N5O3 |
| InChI | InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28) |
| InChIKey | ACWBQPMHZXGDFX-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 435.528 g/mol |
| Nominal Mass | 435 u |
| Quality | 925 |
| SMILES | OC(C(N(CC1=CC=C(C2=C(C=3NN=NN3)C=CC=C2)C=C1)C(CCCC)=O)C(C)C)=O |
| SPLASH | splash10-0570-2982000000-27e29f2dcbadf5894d2e |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | N-(4-[2-(Tetrazol-5-yl)phenyl]benzyl)-N-valeryl-L.valine |
| Technique | DI/MS |
| Wiley ID | DD2024_004236 |