| SpectraBase Spectrum ID |
KtdkIHn8DPT |
| Name |
2-(1-Phenylpropyl)acrylic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.161979946 u |
| Formula |
C16H22O2 |
| InChI |
InChI=1S/C16H22O2/c1-6-14(13-10-8-7-9-11-13)12(2)15(17)18-16(3,4)5/h7-11,14H,2,6H2,1,3-5H3 |
| InChIKey |
OPVPDEKGLJOGDU-UHFFFAOYSA-N |
| Molecular Weight |
246.350 g/mol |
| SMILES |
C(C(C(CC)C=1C=CC=CC1)=C)(=O)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943166 |
