| SpectraBase Spectrum ID |
KIb724Ffq3w |
| Name |
1-Ethyl-3-ethoxycarbonyl-1-azaazulen-2(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.105193344 u |
| Formula |
C14H15NO3 |
| InChI |
InChI=1S/C14H15NO3/c1-3-15-11-9-7-5-6-8-10(11)12(13(15)16)14(17)18-4-2/h5-9H,3-4H2,1-2H3 |
| InChIKey |
WSQPVNPHAAAECX-UHFFFAOYSA-N |
| Molecular Weight |
245.278 g/mol |
| SMILES |
C=1(C(N(CC)C=2C1C=CC=CC2)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950262 |
