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(-)-(1S,5S,7aS)-4-Bromo-1-tert-butoxy-7a-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-5-ol
SpectraBase Compound ID BQufFGRT3hX
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
Mol Weight 303.24 g/mol
Molecular Formula C14H23BrO2
Exact Mass 302.088143 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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