| SpectraBase Spectrum ID |
6dCFKwdgBMj |
| Name |
Carbamic chloride, methyl[(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
255.066221012 u |
| Formula |
C12H14ClNO3 |
| InChI |
InChI=1S/C12H14ClNO3/c1-6-7(2)11(16)9(8(3)10(6)15)5-14(4)12(13)17/h5H2,1-4H3 |
| InChIKey |
KECQFAPTKAFGID-UHFFFAOYSA-N |
| Molecular Weight |
255.701 g/mol |
| SMILES |
CN(CC1=C(C)C(=O)C(=C(C1=O)C)C)C(Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970439 |
![Carbamic chloride, methyl[(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methyl]-](/api/spectrum/6dCFKwdgBMj/structure.png?h=300&w=458 "Carbamic chloride, methyl[(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methyl]-")
