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(1R,4S)-9-Bromo-1,4-dimethyl-decahydro-1,4-methano-naphthalene

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(1R,4S)-9-Bromo-1,4-dimethyl-decahydro-1,4-methano-naphthalene
SpectraBase Compound ID JdCV4AeK3SZ
InChI InChI=1S/C13H21Br/c1-12-7-8-13(2,11(12)14)10-6-4-3-5-9(10)12/h9-11H,3-8H2,1-2H3/t9?,10?,11-,12-,13+
InChIKey BDFLXLVMNNBAMZ-SSYPOUIUSA-N
Mol Weight 257.21 g/mol
Molecular Formula C13H21Br
Exact Mass 256.082664 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DwpTyxksIpn
Name (1R,4S)-9-Bromo-1,4-dimethyl-decahydro-1,4-methano-naphthalene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.082663676 u
Formula C13H21Br
InChI InChI=1S/C13H21Br/c1-12-7-8-13(2,11(12)14)10-6-4-3-5-9(10)12/h9-11H,3-8H2,1-2H3/t9?,10?,11-,12-,13+
InChIKey BDFLXLVMNNBAMZ-SSYPOUIUSA-N
SMILES [C@@]12([C@]([C@@](C)(CC2)C2C1CCCC2)(Br)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859744