| SpectraBase Spectrum ID |
6oXrUVVkIYU |
| Name |
Carbonic acid, 2-chloroethyl 4-nitrophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.009100057 u |
| Formula |
C9H8ClNO5 |
| InChI |
InChI=1S/C9H8ClNO5/c10-5-6-15-9(12)16-8-3-1-7(2-4-8)11(13)14/h1-4H,5-6H2 |
| InChIKey |
XTINYHMDVMSXCV-UHFFFAOYSA-N |
| Molecular Weight |
245.618 g/mol |
| SMILES |
C(CCl)OC(=O)OC1=CC=C(C=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984944 |
