| SpectraBase Spectrum ID |
BECoXqXBG7Z |
| Name |
Carbamothioic acid, dimethyl-, S-[2,6-bis(3-bromopropyl)-4-(1,1-dimethylethyl)phenyl]ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
477.033661731 u |
| Formula |
C19H29Br2NOS |
| InChI |
InChI=1S/C19H29Br2NOS/c1-19(2,3)16-12-14(8-6-10-20)17(24-18(23)22(4)5)15(13-16)9-7-11-21/h12-13H,6-11H2,1-5H3 |
| InChIKey |
SSAKXMVQMYBUBT-UHFFFAOYSA-N |
| Molecular Weight |
479.315 g/mol |
| SMILES |
C(SC=1C(=CC(=CC1CCCBr)C(C)(C)C)CCCBr)(N(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890744 |
![Carbamothioic acid, dimethyl-, S-[2,6-bis(3-bromopropyl)-4-(1,1-dimethylethyl)phenyl]ester](/api/spectrum/BECoXqXBG7Z/structure.png?h=300&w=458 "Carbamothioic acid, dimethyl-, S-[2,6-bis(3-bromopropyl)-4-(1,1-dimethylethyl)phenyl]ester")
