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((2S,4R)-4-iodopentan-2-yl)benzene

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((2S,4R)-4-iodopentan-2-yl)benzene
SpectraBase Compound ID JC4Nnrx2oaV
InChI InChI=1S/C11H15I/c1-9(8-10(2)12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3/t9-,10+/m0/s1
InChIKey JVKSRJNSDVYOSC-VHSXEESVSA-N
Mol Weight 274.15 g/mol
Molecular Formula C11H15I
Exact Mass 274.021845 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4U4QmgxMcDX
Name ((2S,4R)-4-Iodopentan-2-yl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.021845483 u
Formula C11H15I
InChI InChI=1S/C11H15I/c1-9(8-10(2)12)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3/t9-,10+/m0/s1
InChIKey JVKSRJNSDVYOSC-VHSXEESVSA-N
Molecular Weight 274.145 g/mol
SMILES C([C@](I)(C)[H])[C@@](C=1C=CC=CC1)(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881689