| SpectraBase Spectrum ID |
AuMrPESs9m |
| Name |
7-Bromo-6-methoxy-1,4A-dimethyl-2,3,4,9,10,10A-hexahydrophenanthrene-1-carboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.098707662 u |
| Formula |
C19H25BrO3 |
| InChI |
InChI=1S/C19H25BrO3/c1-18-8-5-9-19(2,17(21)23-4)16(18)7-6-12-10-14(20)15(22-3)11-13(12)18/h10-11,16H,5-9H2,1-4H3 |
| InChIKey |
MNQNYGLSRRTGLN-UHFFFAOYSA-N |
| Molecular Weight |
381.310 g/mol |
| SMILES |
CC12C(C(C(OC)=O)(C)CCC2)CCC2=C1C=C(OC)C(=C2)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831453 |
