| SpectraBase Compound ID | JpSafcbx9hA |
|---|---|
| InChI | InChI=1S/C11H10O2/c12-11-7-6-10(13-11)8-9-4-2-1-3-5-9/h1-5,8H,6-7H2/b10-8+ |
| InChIKey | GBXHROYFNQJPMQ-CSKARUKUSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C11H10O2 |
| Exact Mass | 174.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 34JfVvH90hn |
|---|---|
| Name | (5E)-5-(Phenylmethylene)-2-oxolanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.068079560 u |
| Formula | C11H10O2 |
| InChI | InChI=1S/C11H10O2/c12-11-7-6-10(13-11)8-9-4-2-1-3-5-9/h1-5,8H,6-7H2/b10-8+ |
| InChIKey | GBXHROYFNQJPMQ-CSKARUKUSA-N |
| Molecular Weight | 174.199 g/mol |
| SMILES | C=1(\C=C\2OC(CC2)=O)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942979 |