| SpectraBase Spectrum ID |
LOuPLAbqqxZ |
| Name |
Pinosylvin, bis(2-methylpropionate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.167459249 u |
| Formula |
C22H24O4 |
| InChI |
InChI=1S/C22H24O4/c1-15(2)21(23)25-19-12-18(11-10-17-8-6-5-7-9-17)13-20(14-19)26-22(24)16(3)4/h5-16H,1-4H3/b11-10+ |
| InChIKey |
NRXCZVPOKMLIEY-ZHACJKMWSA-N |
| Molecular Weight |
352.430 g/mol |
| SMILES |
C1(\C=C\C2=CC(OC(C(C)C)=O)=CC(=C2)OC(C(C)C)=O)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926678 |
