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2-iodanyl-1-[(1S)-1-methoxyethyl]-3-propan-2-yloxy-benzene

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

2-iodanyl-1-[(1S)-1-methoxyethyl]-3-propan-2-yloxy-benzene
SpectraBase Compound ID 9nJPRkBDTx
InChI InChI=1S/C12H17IO2/c1-8(2)15-11-7-5-6-10(12(11)13)9(3)14-4/h5-9H,1-4H3/t9-/m0/s1
InChIKey NUTKPNMBUUVKND-VIFPVBQESA-N
Mol Weight 320.17 g/mol
Molecular Formula C12H17IO2
Exact Mass 320.027325 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DWlVKVP5B5t
Name 2-Iodanyl-1-[(1S)-1-methoxyethyl]-3-propan-2-yloxy-benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.027324785 u
Formula C12H17IO2
InChI InChI=1S/C12H17IO2/c1-8(2)15-11-7-5-6-10(12(11)13)9(3)14-4/h5-9H,1-4H3/t9-/m0/s1
InChIKey NUTKPNMBUUVKND-VIFPVBQESA-N
Molecular Weight 320.170 g/mol
SMILES C=1(C([C@@](OC)(C)[H])=CC=CC1OC(C)C)I
Spectrum/Structure Validation Score (Vapor Phase IR) 0.877368