| SpectraBase Spectrum ID |
Eo1TF4DzKNW |
| Name |
N,N-Dimethylthiocarbamic acid, S-(1-phenyl-3-methyl-2-butenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.118735409 u |
| Formula |
C14H19NOS |
| InChI |
InChI=1S/C14H19NOS/c1-11(2)10-13(17-14(16)15(3)4)12-8-6-5-7-9-12/h5-10,13H,1-4H3 |
| InChIKey |
VCUHOZLQCPFMKW-UHFFFAOYSA-N |
| Molecular Weight |
249.372 g/mol |
| SMILES |
CN(C(=O)SC(C=C(C)C)C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876476 |
