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2-n-butyl-4-(3-furyl)-4-hydroxy-3-methoxycyclobutenone
SpectraBase Compound ID 6EPZiJu8OMR
InChI InChI=1S/C13H16O4/c1-3-4-5-10-11(14)13(15,12(10)16-2)9-6-7-17-8-9/h6-8,15H,3-5H2,1-2H3
InChIKey NZLRDVZFOFVELY-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 4BdQteVf4A1
Name 2-n-butyl-4-(3-furyl)-4-hydroxy-3-methoxycyclobutenone
Alternate Name(s) 2-Butyl-4-(3-furyl)-4-hydroxy-3-methoxy-2-cyclobuten-1-one
CAS Registry Number 112597-34-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-3-4-5-10-11(14)13(15,12(10)16-2)9-6-7-17-8-9/h6-8,15H,3-5H2,1-2H3
InChIKey NZLRDVZFOFVELY-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES OC1(C(OC)=C(C1=O)CCCC)c1cocc1
SPLASH splash10-002b-7920000000-255fe4894fbb29ad073a
Source of Spectrum J-53-1000-1
Wiley ID 1238067