| SpectraBase Spectrum ID |
DioIP4kcrXs |
| Name |
2,2,2-Trichloroethyl 1-(benzo[D][1,3]dioxol-5-yl)butan-2-ylcarbamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.014491095 u |
| Formula |
C14H16Cl3NO4 |
| InChI |
InChI=1S/C14H16Cl3NO4/c1-2-10(18-13(19)20-7-14(15,16)17)5-9-3-4-11-12(6-9)22-8-21-11/h3-4,6,10H,2,5,7-8H2,1H3,(H,18,19) |
| InChIKey |
ZFWDMOBIBXBRPD-UHFFFAOYSA-N |
| Molecular Weight |
368.644 g/mol |
| SMILES |
C12=CC(=CC=C2OCO1)CC(NC(OCC(Cl)(Cl)Cl)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909353 |
![2,2,2-Trichloroethyl 1-(benzo[D][1,3]dioxol-5-yl)butan-2-ylcarbamate](/api/spectrum/DioIP4kcrXs/structure.png?h=300&w=458 "2,2,2-Trichloroethyl 1-(benzo[D][1,3]dioxol-5-yl)butan-2-ylcarbamate")
