| SpectraBase Spectrum ID |
HeWSh4sdbhl |
| Name |
5-[4'-Nitrophenyl]-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 |
265.058637072 u |
| Formula |
C12H11NO6 |
| InChI |
InChI=1S/C12H11NO6/c1-18-12(15)9-6-10(14)19-11(9)7-2-4-8(5-3-7)13(16)17/h2-5,9,11H,6H2,1H3/t9-,11+/m0/s1 |
| InChIKey |
BAQSHCKXLONKMP-GXSJLCMTSA-N |
| Molecular Weight |
265.221 g/mol |
| SMILES |
[C@@]1([C@](OC(C1)=O)(C1=CC=C(N(=O)=O)C=C1)[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836933 |
![5-[4'-Nitrophenyl]-4-(methoxycarbonyl)-tetrahydrofuran-2-one](/api/spectrum/HeWSh4sdbhl/structure.png?h=300&w=458 "5-[4'-Nitrophenyl]-4-(methoxycarbonyl)-tetrahydrofuran-2-one")
