| SpectraBase Spectrum ID |
LLoopULW0PI |
| Name |
Cyclopentan-1-carboxylic acid, 4-isopropyliden-2-[2-(methoxycarbonyl)ethenyl]-, methyl ester, (cis,E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.151809184 u |
| Formula |
C14H22O4 |
| InChI |
InChI=1S/C12H18O2.C2H4O2/c1-9(2)11-6-4-10(8-11)5-7-12(13)14-3;1-4-2-3/h5,7,10H,4,6,8H2,1-3H3;2H,1H3/b7-5+; |
| InChIKey |
MFCGOEOLKVCXSN-GZOLSCHFSA-N |
| Molecular Weight |
254.326 g/mol |
| Nominal Mass |
254 u |
| SMILES |
C(=O)OC.C1CC(CC1\C=C\C(=O)OC)=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932302 |
![Cyclopentan-1-carboxylic acid, 4-isopropyliden-2-[2-(methoxycarbonyl)ethenyl]-, methyl ester, (cis,E)-](/api/spectrum/LLoopULW0PI/structure.png?h=300&w=458 "Cyclopentan-1-carboxylic acid, 4-isopropyliden-2-[2-(methoxycarbonyl)ethenyl]-, methyl ester, (cis,E)-")
