| SpectraBase Spectrum ID |
BBHOQjvQb9H |
| Name |
1,2-Dimethyl-2-(2-methoxy-5-methylphenyl)cyclopentane-1-methanol p-bromophenylcarbamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.125256763 u |
| Formula |
C23H28BrNO3 |
| InChI |
InChI=1S/C23H28BrNO3/c1-16-6-11-20(27-4)19(14-16)23(3)13-5-12-22(23,2)15-28-21(26)25-18-9-7-17(24)8-10-18/h6-11,14H,5,12-13,15H2,1-4H3,(H,25,26) |
| InChIKey |
PWUUFPSKBAPYJO-UHFFFAOYSA-N |
| Molecular Weight |
446.385 g/mol |
| SMILES |
C1(C(CCC1)(C=1C(=CC=C(C1)C)OC)C)(COC(NC=1C=CC(=CC1)Br)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888902 |
