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Nemoralisin
SpectraBase Compound ID GNHSI4AxHrf
InChI InChI=1S/C20H28O4/c1-13(9-16-10-14(2)11-19(22)23-16)7-6-8-15(3)17-12-18(21)20(4,5)24-17/h9,11-12,15-16H,6-8,10H2,1-5H3/b13-9+
InChIKey AVYLUTSPDMUJIF-UKTHLTGXSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AU3XsgvksvV
Name Nemoralisin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-13(9-16-10-14(2)11-19(22)23-16)7-6-8-15(3)17-12-18(21)20(4,5)24-17/h9,11-12,15-16H,6-8,10H2,1-5H3/b13-9+
InChIKey AVYLUTSPDMUJIF-UKTHLTGXSA-N
Molecular Weight 332.440 g/mol
SMILES C1(=CC(=O)C(O1)(C)C)C(CCC\C(=C\C1OC(=O)C=C(C1)C)C)C
SPLASH splash10-0ugi-4901000000-bc510111f4c52dc3805b
Source of Spectrum H-90-790-3
Synonyms 2-[(E)-6-(5,5-dimethyl-4-oxo-2-furanyl)-2-methylhept-1-enyl]-4-methyl-2,3-dihydropyran-6-one 2-[(E)-6-(5,5-dimethyl-4-oxofuran-2-yl)-2-methylhept-1-enyl]-4-methyl-2,3-dihydropyran-6-one 2-[(E)-6-(5,5-dimethyl-4-oxo-2-furyl)-2-methyl-hept-1-enyl]-4-methyl-2,3-dihydropyran-6-one 2-[(E)-6-(5,5-dimethyl-4-oxidanylidene-furan-2-yl)-2-methyl-hept-1-enyl]-4-methyl-2,3-dihydropyran-6-one
Wiley ID 1590680