| SpectraBase Compound ID | J8SvvW70yrj |
|---|---|
| InChI | InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1 |
| InChIKey | BMKDZUISNHGIBY-ZETCQYMHSA-N |
| Mol Weight | 268.27 g/mol |
| Molecular Formula | C11H16N4O4 |
| Exact Mass | 268.117155 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4EeF8c5yKMB |
|---|---|
| Name | Dexrazoxane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.117155007 u |
| Formula | C11H16N4O4 |
| InChI | InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1 |
| InChIKey | BMKDZUISNHGIBY-ZETCQYMHSA-N |
| SMILES | C1(NC(CN(C1)C[C@@](N1CC(NC(C1)=O)=O)(C)[H])=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891329 |