| SpectraBase Spectrum ID |
CiT3Dt2mmSy |
| Name |
Spiro[2.4]hept-1-ene-1-carboxylic acid, 2-phenyl-, 1-dimethyylethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.161979946 u |
| Formula |
C18H22O2 |
| InChI |
InChI=1S/C18H22O2/c1-17(2,3)20-16(19)15-14(13-9-5-4-6-10-13)18(15)11-7-8-12-18/h4-6,9-10H,7-8,11-12H2,1-3H3 |
| InChIKey |
ARJWZPFETPNZKD-UHFFFAOYSA-N |
| Molecular Weight |
270.372 g/mol |
| SMILES |
C1(=C(C2=CC=CC=C2)C11CCCC1)C(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911856 |
![Spiro[2.4]hept-1-ene-1-carboxylic acid, 2-phenyl-, 1-dimethyylethyl ester](/api/spectrum/CiT3Dt2mmSy/structure.png?h=300&w=458 "Spiro[2.4]hept-1-ene-1-carboxylic acid, 2-phenyl-, 1-dimethyylethyl ester")
