| SpectraBase Spectrum ID |
ALXDOChVWWT |
| Name |
Trans-2-[6-(methoxycarbonyl)hex-2(Z)-enyl]-3-formylcyclopentanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.136159120 u |
| Formula |
C14H20O4 |
| InChI |
InChI=1S/C14H20O4/c1-18-14(17)7-5-3-2-4-6-12-11(10-15)8-9-13(12)16/h2,4,10-12H,3,5-9H2,1H3/b4-2-/t11-,12-/m1/s1 |
| InChIKey |
RGWUSRMTLLQNHH-DNDCWNJCSA-N |
| Molecular Weight |
252.310 g/mol |
| SMILES |
C1([C@@]([C@@](C=O)(CC1)[H])(C\C=C/CCCC(=O)OC)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962802 |
![Trans-2-[6-(methoxycarbonyl)hex-2(Z)-enyl]-3-formylcyclopentanone](/api/spectrum/ALXDOChVWWT/structure.png?h=300&w=458 "Trans-2-[6-(methoxycarbonyl)hex-2(Z)-enyl]-3-formylcyclopentanone")
