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2-Chloro-(4R / 15R)-methylcyclohexadecanone

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2-Chloro-(4R / 15R)-methylcyclohexadecanone
SpectraBase Compound ID DhJSDGE601k
InChI InChI=1S/C17H31ClO/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(18)17(15)19/h15-16H,2-14H2,1H3/t15-,16?/m1/s1
InChIKey JWGYSVOUZJYUFS-AAFJCEBUSA-N
Mol Weight 286.89 g/mol
Molecular Formula C17H31ClO
Exact Mass 286.206343 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Br7se0AKahg
Name 2-Chloro-(4R / 15R)-methylcyclohexadecanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.206343317 u
Formula C17H31ClO
InChI InChI=1S/C17H31ClO/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(18)17(15)19/h15-16H,2-14H2,1H3/t15-,16?/m1/s1
InChIKey JWGYSVOUZJYUFS-AAFJCEBUSA-N
SMILES C1(=O)C(Cl)CCCCCCCCCCCCC[C@]1(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937406