| SpectraBase Spectrum ID |
DyIx6mdbHtl |
| Name |
Cyclopropanecarboxylic acid, 1-butyl-2-methyl-2-phenyl-, methyl ester, cis- |
| 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/c1-4-5-11-16(14(17)18-3)12-15(16,2)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3/t15-,16+/m1/s1 |
| InChIKey |
LJTNKFAUKWTCTN-CVEARBPZSA-N |
| Molecular Weight |
246.350 g/mol |
| SMILES |
[C@]1([C@](C=2C=CC=CC2)(C)C1)(C(=O)OC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840401 |
