| SpectraBase Spectrum ID |
4i5LL8X0yt5 |
| Name |
(1S,3R)-3-Formyl-2,2-dimethyl-cyclopropanecarboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
170.094294308 u |
| Formula |
C9H14O3 |
| InChI |
InChI=1S/C9H14O3/c1-4-12-8(11)7-6(5-10)9(7,2)3/h5-7H,4H2,1-3H3/t6-,7-/m1/s1 |
| InChIKey |
ZFZXRNVTYVRULM-RNFRBKRXSA-N |
| Molecular Weight |
170.208 g/mol |
| SMILES |
C1([C@](C=O)([C@@]1(C(=O)OCC)[H])[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962268 |
