SpectraBase Spectrum ID |
dBuZm42Pcv |
Name |
(-)-(1S,5S,7as)-4-bromo-1-tert-butoxy-7A-methyl-2,3,5,6,7,7A-hexahydro-1H-inden-5-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
302.088142979 u |
Formula |
C14H23BrO2 |
InChI |
InChI=1S/C14H23BrO2/c1-13(2,3)17-11-6-5-9-12(15)10(16)7-8-14(9,11)4/h10-11,16H,5-8H2,1-4H3/t10-,11-,14-/m0/s1 |
InChIKey |
LSJQYOPDBSLWPH-MJVIPROJSA-N |
SMILES |
[C@]1(CCC2=C([C@](CC[C@]12C)(O)[H])Br)(OC(C)(C)C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915888 |