| SpectraBase Spectrum ID |
EgK564FO58N |
| Name |
N-[(E)-but-2-Enyl]-N-(3-chloropropyl)carbamic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.133906650 u |
| Formula |
C12H22ClNO2 |
| InChI |
InChI=1S/C12H22ClNO2/c1-5-6-9-14(10-7-8-13)11(15)16-12(2,3)4/h5-6H,7-10H2,1-4H3/b6-5+ |
| InChIKey |
CVRDVHIRHHRDPV-AATRIKPKSA-N |
| Molecular Weight |
247.766 g/mol |
| SMILES |
C(N(C\C=C\C)C(=O)OC(C)(C)C)CCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939431 |
![N-[(E)-but-2-enyl]-N-(3-chloropropyl)carbamic acid tert-butyl ester](/api/spectrum/EgK564FO58N/structure.png?h=300&w=458 "N-[(E)-but-2-enyl]-N-(3-chloropropyl)carbamic acid tert-butyl ester")
