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1-[(1S)-1-(bromomethyl)-2-methyl-propyl]-4-methoxy-benzene

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1-[(1S)-1-(bromomethyl)-2-methyl-propyl]-4-methoxy-benzene
SpectraBase Compound ID 1PHduYPgLyk
InChI InChI=1S/C12H17BrO/c1-9(2)12(8-13)10-4-6-11(14-3)7-5-10/h4-7,9,12H,8H2,1-3H3/t12-/m0/s1
InChIKey VZSFXJZNKXDGLB-LBPRGKRZSA-N
Mol Weight 257.17 g/mol
Molecular Formula C12H17BrO
Exact Mass 256.046278 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3BWRQn2uccG
Name 1-[(1S)-1-(Bromomethyl)-2-methyl-propyl]-4-methoxy-benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.046278166 u
Formula C12H17BrO
InChI InChI=1S/C12H17BrO/c1-9(2)12(8-13)10-4-6-11(14-3)7-5-10/h4-7,9,12H,8H2,1-3H3/t12-/m0/s1
InChIKey VZSFXJZNKXDGLB-LBPRGKRZSA-N
Molecular Weight 257.171 g/mol
SMILES C=1(C=CC(=CC1)OC)[C@](C(C)C)(CBr)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942988