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Benzene, (1-chloro-2-iodopropyl)-, (R*,R*)-(.+-.)-
SpectraBase Compound ID 6englcAsdm7
InChI InChI=1S/C9H10ClI/c1-7(11)9(10)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9+/m1/s1
InChIKey MFFNBFRCQUODQI-APPZFPTMSA-N
Mol Weight 280.54 g/mol
Molecular Formula C9H10ClI
Exact Mass 279.951573 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CbVX4jWhstw
Name Benzene, (1-chloro-2-iodopropyl)-, (R*,R*)-(.+-.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.951573022 u
Formula C9H10ClI
InChI InChI=1S/C9H10ClI/c1-7(11)9(10)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9+/m1/s1
InChIKey MFFNBFRCQUODQI-APPZFPTMSA-N
Molecular Weight 280.536 g/mol
SMILES [C@](C=1C=CC=CC1)([C@](I)(C)[H])(Cl)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977039