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2-Chloro-4-hydroxy-3-methoxy-4-(2-oxoheptyl)-2-cyclobutenone
SpectraBase Compound ID sSpZLLRVZg
InChI InChI=1S/C12H17ClO4/c1-3-4-5-6-8(14)7-12(16)10(15)9(13)11(12)17-2/h16H,3-7H2,1-2H3
InChIKey CIZLIHRZFFIMOA-UHFFFAOYSA-N
Mol Weight 260.72 g/mol
Molecular Formula C12H17ClO4
Exact Mass 260.081537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4M8cjlQ7rE
Name 2-Chloro-4-hydroxy-3-methoxy-4-(2-oxoheptyl)-2-cyclobutenone
Alternate Name(s) 2-Chloro-4-hydroxy-3-methoxy-4-(2-oxoheptyl)-2-cyclobuten-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17ClO4
InChI InChI=1S/C12H17ClO4/c1-3-4-5-6-8(14)7-12(16)10(15)9(13)11(12)17-2/h16H,3-7H2,1-2H3
InChIKey CIZLIHRZFFIMOA-UHFFFAOYSA-N
Molecular Weight 260.717 g/mol
SMILES OC1(C(OC)=C(C1=O)Cl)CC(=O)CCCCC
SPLASH splash10-0wmi-0910000000-5a4f0078a0f2753f58a4
Source of Spectrum F-50-7790-10
Wiley ID 1263344