| SpectraBase Spectrum ID |
5WCxwMbTJy3 |
| Name |
5-[4'-Methylphenyl]-4-(methoxycarbonyl)-tetrahydrofuran-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.089208927 u |
| Formula |
C13H14O4 |
| InChI |
InChI=1S/C13H14O4/c1-8-3-5-9(6-4-8)12-10(13(15)16-2)7-11(14)17-12/h3-6,10,12H,7H2,1-2H3/t10-,12+/m0/s1 |
| InChIKey |
YXFBEFCZVFSMLP-CMPLNLGQSA-N |
| Molecular Weight |
234.251 g/mol |
| SMILES |
[C@@]1([C@](OC(C1)=O)(C=1C=CC(=CC1)C)[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92489 |
![5-[4'-Methylphenyl]-4-(methoxycarbonyl)-tetrahydrofuran-2-one](/api/spectrum/5WCxwMbTJy3/structure.png?h=300&w=458 "5-[4'-Methylphenyl]-4-(methoxycarbonyl)-tetrahydrofuran-2-one")
