| SpectraBase Spectrum ID |
9xYI9Zr3zgR |
| Name |
(.+/-.)-mbdb, N-chlorodifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.078677402 u |
| Formula |
C14H16ClF2NO3 |
| InChI |
InChI=1S/C14H16ClF2NO3/c1-3-10(18(2)13(19)14(15,16)17)6-9-4-5-11-12(7-9)21-8-20-11/h4-5,7,10H,3,6,8H2,1-2H3 |
| InChIKey |
RVVWJYASXYUNTG-UHFFFAOYSA-N |
| Molecular Weight |
319.736 g/mol |
| SMILES |
C1(=CC=C2C(=C1)OCO2)CC(N(C)C(C(F)(F)Cl)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926822 |
