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2-n-butyl-4-(2-furyl)-4-hydroxy-3-methoxycyclobutenone
SpectraBase Compound ID 3QBLh7ImcA3
InChI InChI=1S/C13H16O4/c1-3-4-6-9-11(14)13(15,12(9)16-2)10-7-5-8-17-10/h5,7-8,15H,3-4,6H2,1-2H3
InChIKey KHHFBGKHEYXQSO-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TOKEWfPJiq
Name 2-n-butyl-4-(2-furyl)-4-hydroxy-3-methoxycyclobutenone
CAS Registry Number 112597-33-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-3-4-6-9-11(14)13(15,12(9)16-2)10-7-5-8-17-10/h5,7-8,15H,3-4,6H2,1-2H3
InChIKey KHHFBGKHEYXQSO-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES OC1(C(OC)=C(C1=O)CCCC)c1occc1
SPLASH splash10-00kb-5930000000-dfcbca3278c54364db2c
Source of Spectrum J-53-1000-1
Synonyms 2-Butyl-4-(2-furyl)-4-hydroxy-3-methoxy-2-cyclobuten-1-one
Wiley ID 1238068