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Methyl 4-chloro-2,2-dimethyl-4-pentenoate
SpectraBase Compound ID Ibfvkm6OQiC
InChI InChI=1S/C8H13ClO2/c1-6(9)5-8(2,3)7(10)11-4/h1,5H2,2-4H3
InChIKey NMIYZQVNXZOOPF-UHFFFAOYSA-N
Mol Weight 176.64 g/mol
Molecular Formula C8H13ClO2
Exact Mass 176.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GxbcqqTm6MX
Name Methyl 4-chloro-2,2-dimethyl-4-pentenoate
Alternate Name(s) 4-Chloro-2,2-dimethyl-4-pentenoic acid methyl ester Methyl 4-chloro-2,2-dimethylpent-4-enoate Methyl 4-chloro-2,2-dimethyl-pent-4-enoate Methyl 4-chloranyl-2,2-dimethyl-pent-4-enoate
CAS Registry Number 86799-85-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13ClO2
InChI InChI=1S/C8H13ClO2/c1-6(9)5-8(2,3)7(10)11-4/h1,5H2,2-4H3
InChIKey NMIYZQVNXZOOPF-UHFFFAOYSA-N
Molecular Weight 176.643 g/mol
SMILES C=C(CC(C(=O)OC)(C)C)Cl
SPLASH splash10-0006-9200000000-7dde4d28bddd8c96af15
Source of Spectrum NP-2-7531-0
Wiley ID 1101663