| SpectraBase Spectrum ID |
FQV8LsFxKo4 |
| Name |
Ditert-butyl benzene-1,2-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.151809184 u |
| Formula |
C16H22O4 |
| InChI |
InChI=1S/C16H22O4/c1-15(2,3)19-13(17)11-9-7-8-10-12(11)14(18)20-16(4,5)6/h7-10H,1-6H3 |
| InChIKey |
RYCNBIYTZSGSPI-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C(=O)(C=1C(=CC=CC1)C(=O)OC(C)(C)C)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869374 |
