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2-Butanol, 3-chloro-1,4-dimethoxy-, [R-(R*,S*)]-

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2-Butanol, 3-chloro-1,4-dimethoxy-, [R-(R*,S*)]-
SpectraBase Compound ID pIqjcunltC
InChI InChI=1S/C6H13ClO3/c1-9-3-5(7)6(8)4-10-2/h5-6,8H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKey OEYZCHGXTWJNRL-RITPCOANSA-N
Mol Weight 168.62 g/mol
Molecular Formula C6H13ClO3
Exact Mass 168.055322 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5wrul4FM9Ry
Name 2-Butanol, 3-chloro-1,4-dimethoxy-, [R-(R*,S*)]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 168.055321976 u
Formula C6H13ClO3
InChI InChI=1S/C6H13ClO3/c1-9-3-5(7)6(8)4-10-2/h5-6,8H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKey OEYZCHGXTWJNRL-RITPCOANSA-N
Molecular Weight 168.620 g/mol
SMILES [C@]([C@@](O)(COC)[H])(Cl)(COC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949552