![5-Bromo-3-propionylbenzo[d]oxazol-2(3H)-one](/api/spectrum/BPUX0viwJra/structure.png?h=300&w=458 "5-Bromo-3-propionylbenzo[d]oxazol-2(3H)-one")
| SpectraBase Compound ID | 5vstbvpIOc2 |
|---|---|
| InChI | InChI=1S/C10H8BrNO3/c1-2-9(13)12-7-5-6(11)3-4-8(7)15-10(12)14/h3-5H,2H2,1H3 |
| InChIKey | RVDWJPFZTUHAEH-UHFFFAOYSA-N |
| Mol Weight | 270.08 g/mol |
| Molecular Formula | C10H8BrNO3 |
| Exact Mass | 268.968756 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BPUX0viwJra |
|---|---|
| Name | 5-Bromo-3-propionylbenzo[D]oxazol-2(3H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.968756119 u |
| Formula | C10H8BrNO3 |
| InChI | InChI=1S/C10H8BrNO3/c1-2-9(13)12-7-5-6(11)3-4-8(7)15-10(12)14/h3-5H,2H2,1H3 |
| InChIKey | RVDWJPFZTUHAEH-UHFFFAOYSA-N |
| SMILES | C1(N(C=2C(O1)=CC=C(C2)Br)C(=O)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936507 |