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Isohemigossylic acid lactone-2-methyl ether
SpectraBase Compound ID 1zVJmIKOlxY
InChI InChI=1S/C16H16O4/c1-7(2)9-6-11(17)13-12-10(9)5-8(3)14(19-4)15(12)20-16(13)18/h5-7,17H,1-4H3
InChIKey BTSBSVVWGQHNFB-UHFFFAOYSA-N
Mol Weight 272.3 g/mol
Molecular Formula C16H16O4
Exact Mass 272.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uCnLeLfZPr
Name Isohemigossylic acid lactone-2-methyl ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O4
GC Oven Program Oven temp 280oC
InChI InChI=1S/C16H16O4/c1-7(2)9-6-11(17)13-12-10(9)5-8(3)14(19-4)15(12)20-16(13)18/h5-7,17H,1-4H3
InChIKey BTSBSVVWGQHNFB-UHFFFAOYSA-N
Instrument Name Hewlett/Packard 5890 II-5989b
Ionization Type EI
Literature Reference DOI 10.1021/np0004350
Molecular Weight 272.300 g/mol
SMILES Oc1cc(C(C)C)c2cc(C)c(OC)c3OC(=O)c1c23
SPLASH splash10-00di-0090000000-e2882cda11073e9e34b3
Source of Spectrum G4-64-261-2
Wiley ID 1883018