| SpectraBase Spectrum ID |
9o2MxNFPiBE |
| Name |
Cyclopentobarbital 2me P669 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.131742445 u |
| Formula |
C14H18N2O3 |
| InChI |
InChI=1S/C14H18N2O3/c1-4-9-14(10-7-5-6-8-10)11(17)15(2)13(19)16(3)12(14)18/h4,7H,1,5-6,8-9H2,2-3H3 |
| InChIKey |
OAZJBFDFTOXHKU-UHFFFAOYSA-N |
| Molecular Weight |
262.309 g/mol |
| SMILES |
C1C=C(CC1)C1(C(N(C(=O)N(C1=O)C)C)=O)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980017 |
