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3,5,5-Trimethylhexanoyl chloride

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3,5,5-Trimethylhexanoyl chloride
SpectraBase Compound ID 4QsDgNX66L7
InChI InChI=1S/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3
InChIKey GEKPNPPFAYJZRD-UHFFFAOYSA-N
Mol Weight 176.69 g/mol
Molecular Formula C9H17ClO
Exact Mass 176.096793 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ASX4Jr8asMV
Name 3,5,5-Trimethylhexanoyl chloride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 422959
CAS Registry Number 36727-29-4
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17ClO
InChI 1S/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3
InChIKey GEKPNPPFAYJZRD-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Isononanoyl chloride
Wiley ID SIAL_13CNMR_009390