| SpectraBase Spectrum ID |
LUbO6kYlpv9 |
| Name |
Diethyl 5-(hydroxymethyl)indane-2,2-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.131073739 u |
| Formula |
C16H20O5 |
| InChI |
InChI=1S/C16H20O5/c1-3-20-14(18)16(15(19)21-4-2)8-12-6-5-11(10-17)7-13(12)9-16/h5-7,17H,3-4,8-10H2,1-2H3 |
| InChIKey |
XJXCLELUVNDVRD-UHFFFAOYSA-N |
| SMILES |
C1(CC=2C=C(CO)C=CC2C1)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924583 |
