| SpectraBase Spectrum ID |
1BQR2TIyrca |
| Name |
Carbamic acid, N-methyl-N-heptyl-, 3-chloropropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.149556715 u |
| Formula |
C12H24ClNO2 |
| InChI |
InChI=1S/C12H24ClNO2/c1-3-4-5-6-7-10-14(2)12(15)16-11-8-9-13/h3-11H2,1-2H3 |
| InChIKey |
LQCFUSAKGNPZSQ-UHFFFAOYSA-N |
| Molecular Weight |
249.782 g/mol |
| SMILES |
C(OCCCCl)(=O)N(C)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929991 |
