| SpectraBase Spectrum ID |
6ZJXGChSm51 |
| Name |
Sarcomejine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.105587265 u |
| Formula |
C16H17NO6 |
| InChI |
InChI=1S/C16H17NO6/c1-17-10-8-6-5-7-9(10)13(18)11(15(19)22-3)12(17)14(21-2)16(20)23-4/h5-8,14H,1-4H3 |
| InChIKey |
DOCMSFVZGDFQKA-UHFFFAOYSA-N |
| Molecular Weight |
319.313 g/mol |
| SMILES |
CN1C(=C(C(=O)C2=CC=CC=C12)C(=O)OC)C(OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919547 |
