| SpectraBase Spectrum ID |
AJCcEERpkji |
| Name |
(2E)-2-[(2S)-2-Benzoxypropylidene]-5-methyl-3H-furan-4-carboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.151809184 u |
| Formula |
C18H22O4 |
| InChI |
InChI=1S/C18H22O4/c1-4-20-18(19)17-11-16(22-14(17)3)10-13(2)21-12-15-8-6-5-7-9-15/h5-10,13H,4,11-12H2,1-3H3/b16-10+/t13-/m0/s1 |
| InChIKey |
UAGRAVOXGDTNLX-RKPNYOAGSA-N |
| SMILES |
C1(=C(O\C(C1)=C/[C@@](OCC1=CC=CC=C1)(C)[H])C)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843278 |
![(2E)-2-[(2S)-2-benzoxypropylidene]-5-methyl-3H-furan-4-carboxylic acid ethyl ester](/api/spectrum/AJCcEERpkji/structure.png?h=300&w=458 "(2E)-2-[(2S)-2-benzoxypropylidene]-5-methyl-3H-furan-4-carboxylic acid ethyl ester")
