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Monochasiol H
SpectraBase Compound ID CbDPAgCAOwW
InChI InChI=1S/C21H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-19(23)21(22)20(24)17-18/h7-8,11-12,16-17,23-24H,2-6,9-10,13-15H2,1H3/b8-7-,12-11-
InChIKey KTAJRUCDMJFDGC-MQEUWQHPSA-N
Mol Weight 350.93 g/mol
Molecular Formula C21H31ClO2
Exact Mass 350.201258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1NmwENG1zl
Name Monochasiol H
Appearance Colorless, amorphous solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31ClO2
InChI InChI=1S/C21H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-19(23)21(22)20(24)17-18/h7-8,11-12,16-17,23-24H,2-6,9-10,13-15H2,1H3/b8-7-,12-11-
InChIKey KTAJRUCDMJFDGC-MQEUWQHPSA-N
Instrument Name JEOL JMS-700 / JMS-DX303
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00456
Molecular Weight 350.930 g/mol
Reported Formula C21H31O2(35)Cl
SMILES Oc1cc(cc(c1Cl)O)CCC\C=C/CC\C=C/CCCCCC
SPLASH splash10-0a4i-0912000000-f43b16ef5f3ceefdc77d
Source of Spectrum G4-80-2721-8
Wiley ID 1867560