| SpectraBase Spectrum ID |
2XAmt8whcHb |
| Name |
Salicylic acid, 3-methoxy-, o-methoxycarbonyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.063388100 u |
| Formula |
C11H12O6 |
| InChI |
InChI=1S/C11H12O6/c1-14-8-6-4-5-7(10(12)15-2)9(8)17-11(13)16-3/h4-6H,1-3H3 |
| InChIKey |
NSZDMKPWIPLQJD-UHFFFAOYSA-N |
| Molecular Weight |
240.211 g/mol |
| SMILES |
C1=CC(=C(C(=C1)C(OC)=O)OC(OC)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9139 |
