| SpectraBase Spectrum ID |
JMZ4vj9jWjX |
| Name |
(-)-[alphas-2-oxocyclohexyl)benzyl]malonic acid, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.146723803 u |
| Formula |
C18H22O5 |
| InChI |
InChI=1S/C18H22O5/c1-22-17(20)16(18(21)23-2)15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)19/h3-5,8-9,13,15-16H,6-7,10-11H2,1-2H3 |
| InChIKey |
ZMWVSJFPBZSFFZ-UHFFFAOYSA-N |
| Molecular Weight |
318.369 g/mol |
| SMILES |
C=1C(=CC=CC1)C(C(C(OC)=O)C(OC)=O)C1CCCCC1=O |
| Spectrum/Structure Validation Score (Raman) |
0.883101 |
![(-)-[alphaS-2-oxocyclohexyl)benzyl]malonic acid, dimethyl ester](/api/spectrum/JMZ4vj9jWjX/structure.png?h=300&w=458 "(-)-[alphaS-2-oxocyclohexyl)benzyl]malonic acid, dimethyl ester")
