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2,4-Bis(3-methyl-1-pentynyl)-4-chloro-3-methoxy-2-cyclobuten-1-one
SpectraBase Compound ID EtIcHCYOtXd
InChI InChI=1S/C17H21ClO2/c1-6-12(3)8-9-14-15(19)17(18,16(14)20-5)11-10-13(4)7-2/h12-13H,6-7H2,1-5H3
InChIKey QJOLBFMUSKCKOE-UHFFFAOYSA-N
Mol Weight 292.81 g/mol
Molecular Formula C17H21ClO2
Exact Mass 292.123008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVsqKnfTDI7
Name 2,4-Bis(3-methyl-1-pentynyl)-4-chloro-3-methoxy-2-cyclobuten-1-one
CAS Registry Number 137395-22-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21ClO2
InChI InChI=1S/C17H21ClO2/c1-6-12(3)8-9-14-15(19)17(18,16(14)20-5)11-10-13(4)7-2/h12-13H,6-7H2,1-5H3
InChIKey QJOLBFMUSKCKOE-UHFFFAOYSA-N
Molecular Weight 292.806 g/mol
SMILES C1(C(OC)=C(C1=O)C#CC(CC)C)(C#CC(CC)C)Cl
SPLASH splash10-056u-9520000000-516e6fb9f23460dc6ff4
Source of Spectrum J-57-338-0
Synonyms 4-Chloro-3-methoxy-2,4-bis(3-methyl-1-pentynyl)-2-cyclobuten-1-one
Wiley ID 1295518