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3-tert-Butoxy-2-n-butyl-4-hex-1-ynyl-4-hydroxycyclobut-2-en-1-one
SpectraBase Compound ID AQwaK66baTC
InChI InChI=1S/C18H28O3/c1-6-8-10-11-13-18(20)15(19)14(12-9-7-2)16(18)21-17(3,4)5/h20H,6-10,12H2,1-5H3
InChIKey LERMVRQLFSSDEF-UHFFFAOYSA-N
Mol Weight 292.42 g/mol
Molecular Formula C18H28O3
Exact Mass 292.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJ9NltF86vw
Name 3-tert-Butoxy-2-n-butyl-4-hex-1-ynyl-4-hydroxycyclobut-2-en-1-one
CAS Registry Number 124175-46-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O3
InChI InChI=1S/C18H28O3/c1-6-8-10-11-13-18(20)15(19)14(12-9-7-2)16(18)21-17(3,4)5/h20H,6-10,12H2,1-5H3
InChIKey LERMVRQLFSSDEF-UHFFFAOYSA-N
Molecular Weight 292.419 g/mol
SMILES OC1(C(=C(C1=O)CCCC)OC(C)(C)C)C#CCCCC
SPLASH splash10-0a4i-9420000000-5d2c404fc1226ca86070
Source of Spectrum J-55-1180-8
Synonyms 3-tert-Butoxy-2-butyl-4-(1-hexynyl)-4-hydroxy-2-cyclobuten-1-one
Wiley ID 1295737