| SpectraBase Spectrum ID |
GUxNKj3nuM8 |
| Name |
(E)-1-[(Methoxycarbonyl)(phenyl)methylene]-1,3-dihydroisobenzofuran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.094294308 u |
| Formula |
C17H14O3 |
| InChI |
InChI=1S/C17H14O3/c1-19-17(18)15(12-7-3-2-4-8-12)16-14-10-6-5-9-13(14)11-20-16/h2-10H,11H2,1H3/b16-15+ |
| InChIKey |
NHTMCFKIKSKFCS-FOCLMDBBSA-N |
| Molecular Weight |
266.296 g/mol |
| SMILES |
C1O\C(C=2C=CC=CC12)=C\(C=1C=CC=CC1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956555 |
![(E)-1-[(Methoxycarbonyl)(phenyl)methylene]-1,3-dihydroisobenzofuran](/api/spectrum/GUxNKj3nuM8/structure.png?h=300&w=458 "(E)-1-[(Methoxycarbonyl)(phenyl)methylene]-1,3-dihydroisobenzofuran")
