| SpectraBase Compound ID | 45sQcYYbm0V |
|---|---|
| InChI | InChI=1S/C13H16N2O.C2H2O4/c1-13(15-8-4-5-9-15)10-6-2-3-7-11(10)14-12(13)16;3-1(4)2(5)6/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,16);(H,3,4)(H,5,6) |
| InChIKey | KBKUHPHGUKYVEP-UHFFFAOYSA-N |
| Mol Weight | 306.32 g/mol |
| Molecular Formula | C15H18N2O5 |
| Exact Mass | 306.121572 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3rVXZ0SAIZO |
|---|---|
| Name | 3-Methyl-3-(1-pyrrolidinyl)-2-indolinone, oxalate(1:1) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.121571683 u |
| Formula | C15H18N2O5 |
| InChI | InChI=1S/C13H16N2O.C2H2O4/c1-13(15-8-4-5-9-15)10-6-2-3-7-11(10)14-12(13)16;3-1(4)2(5)6/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,16);(H,3,4)(H,5,6) |
| InChIKey | KBKUHPHGUKYVEP-UHFFFAOYSA-N |
| Molecular Weight | 306.318 g/mol |
| Nominal Mass | 306 u |
| SMILES | OC(C(O)=O)=O.N1C=2C=CC=CC2C(C1=O)(N1CCCC1)C |
| Spectrum/Structure Validation Score (Raman) | 0.864949 |