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Crellisin B

View entire compound with spectra: 1 MS (GC)

Crellisin B
SpectraBase Compound ID 2xbdMiNSI1I
InChI InChI=1S/C17H18O4/c1-12(2)10-14(18)4-3-9-20-15-7-5-13-6-8-17(19)21-16(13)11-15/h5-8,10-11H,3-4,9H2,1-2H3
InChIKey GMOZPDYFVQEKJH-UHFFFAOYSA-N
Mol Weight 286.33 g/mol
Molecular Formula C17H18O4
Exact Mass 286.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QasLMnIfFQ
Name Crellisin B
Alternate Name(s) 7-(6-Methyl-4-oxohept-5-enoxy)-1-benzopyran-2-one 7-(6-Methyl-4-oxohept-5-enoxy)chromen-2-one 7-(6-Methyl-4-oxo-hept-5-enoxy)chromen-2-one 7-(6-Methyl-4-oxidanylidene-hept-5-enoxy)chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O4
InChI InChI=1S/C17H18O4/c1-12(2)10-14(18)4-3-9-20-15-7-5-13-6-8-17(19)21-16(13)11-15/h5-8,10-11H,3-4,9H2,1-2H3
InChIKey GMOZPDYFVQEKJH-UHFFFAOYSA-N
Molecular Weight 286.327 g/mol
SMILES c12OC(C=Cc2ccc(c1)OCCCC(C=C(C)C)=O)=O
SPLASH splash10-0zfr-5900000000-aa8558c75c44775aa688
Source of Spectrum Y1-34-976-2
Wiley ID 1526568