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3-tert-Butoxy-2-n-butyl-4-(1-n-butylethenyl)-4-hydroxycyclobut-2-en-1-one
SpectraBase Compound ID B2Nh2TELIQc
InChI InChI=1S/C18H30O3/c1-7-9-11-13(3)18(20)15(19)14(12-10-8-2)16(18)21-17(4,5)6/h20H,3,7-12H2,1-2,4-6H3
InChIKey NWEKFCSHXZDTLI-UHFFFAOYSA-N
Mol Weight 294.43 g/mol
Molecular Formula C18H30O3
Exact Mass 294.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLdmhZiEmWd
Name 3-tert-Butoxy-2-n-butyl-4-(1-n-butylethenyl)-4-hydroxycyclobut-2-en-1-one
Alternate Name(s) 3-tert-Butoxy-2-butyl-4-(1-butylvinyl)-4-hydroxy-2-cyclobuten-1-one
CAS Registry Number 124175-53-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30O3
InChI InChI=1S/C18H30O3/c1-7-9-11-13(3)18(20)15(19)14(12-10-8-2)16(18)21-17(4,5)6/h20H,3,7-12H2,1-2,4-6H3
InChIKey NWEKFCSHXZDTLI-UHFFFAOYSA-N
Molecular Weight 294.435 g/mol
SMILES OC1(C(OC(C)(C)C)=C(C1=O)CCCC)C(=C)CCCC
SPLASH splash10-0a4i-9200000000-ee478d740e0d19257408
Source of Spectrum J-55-1182-15
Wiley ID 1297489