| SpectraBase Spectrum ID |
4y5AFaM2br9 |
| Name |
5,6-bis(Carboxymethyl)-N-phenyl-4,7-dihydrobenzoxazol-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.089937201 u |
| Formula |
C17H15NO6 |
| InChI |
InChI=1S/C17H15NO6/c1-22-15(19)11-8-13-14(9-12(11)16(20)23-2)24-17(21)18(13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3 |
| InChIKey |
MGGVFKCSDMDDRN-UHFFFAOYSA-N |
| Molecular Weight |
329.308 g/mol |
| SMILES |
C1=2N(C(=O)OC2CC(C(=O)OC)=C(C1)C(=O)OC)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929427 |
