| SpectraBase Spectrum ID |
476yVKeioPL |
| Name |
1-(7-Nitro-2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
265.095022582 u |
| Formula |
C13H15NO5 |
| InChI |
InChI=1S/C13H15NO5/c1-2-3-4-11(15)9-7-12-13(19-6-5-18-12)8-10(9)14(16)17/h7-8H,2-6H2,1H3 |
| InChIKey |
GYPOEXBKGJBPHA-UHFFFAOYSA-N |
| Molecular Weight |
265.265 g/mol |
| SMILES |
C1=C2C(OCCO2)=CC(=C1N(=O)=O)C(=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914927 |
