![Naphth[2,3-b]oxirene-2,7-dione, 1a,7a-dihydro-](/api/spectrum/LYck4gXBwqk/structure.png?h=300&w=458 "Naphth[2,3-b]oxirene-2,7-dione, 1a,7a-dihydro-")
| SpectraBase Compound ID | AqwyejfnNNm |
|---|---|
| InChI | InChI=1S/C10H6O3/c11-7-5-3-1-2-4-6(5)8(12)10-9(7)13-10/h1-4,9-10H |
| InChIKey | TVVRFUOKLKGUKT-UHFFFAOYSA-N |
| Mol Weight | 174.15 g/mol |
| Molecular Formula | C10H6O3 |
| Exact Mass | 174.031694 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LYck4gXBwqk |
|---|---|
| Name | Naphth[2,3-B]oxirene-2,7-dione, 1A,7A-dihydro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.031694050 u |
| Formula | C10H6O3 |
| InChI | InChI=1S/C10H6O3/c11-7-5-3-1-2-4-6(5)8(12)10-9(7)13-10/h1-4,9-10H |
| InChIKey | TVVRFUOKLKGUKT-UHFFFAOYSA-N |
| Molecular Weight | 174.155 g/mol |
| SMILES | C12=C(C=CC=C2)C(C2C(C1=O)O2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95306 |