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Brianthein W

View entire compound with spectra: 1 MS (GC)

Brianthein W
SpectraBase Compound ID JG4upAAOwzC
InChI InChI=1S/C24H32O6/c1-13-7-9-21(28-16(4)25)24(6)19(14(2)8-10-22(24)29-17(5)26)12-18-15(3)23(27)30-20(18)11-13/h8,11,19-22H,7,9-10,12H2,1-6H3/b13-11-
InChIKey ZJOXMWJKQWLNFX-QBFSEMIESA-N
Mol Weight 416.5 g/mol
Molecular Formula C24H32O6
Exact Mass 416.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAJfZpY0w5n
Name Brianthein W
CAS Registry Number 91178-23-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32O6
InChI InChI=1S/C24H32O6/c1-13-7-9-21(28-16(4)25)24(6)19(14(2)8-10-22(24)29-17(5)26)12-18-15(3)23(27)30-20(18)11-13/h8,11,19-22H,7,9-10,12H2,1-6H3/b13-11-
InChIKey ZJOXMWJKQWLNFX-QBFSEMIESA-N
Molecular Weight 416.514 g/mol
SMILES C12(C(CC3=C(C(=O)OC3\C=C/(CCC1OC(=O)C)C)C)C(C)=CCC2OC(=O)C)C
SPLASH splash10-00kf-9262000000-49a3c022f0e55fc855f7
Source of Spectrum J-49-3399-0
Wiley ID 1376431