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2-(benzyloxy)-6,7,11-trimethoxy-1,2,3,4,12,12a-hexahydronaphthacene
SpectraBase Compound ID 9KFEMzEWBwo
InChI InChI=1S/C28H30O4/c1-29-25-11-7-10-22-26(25)28(31-3)24-15-19-12-13-21(32-17-18-8-5-4-6-9-18)14-20(19)16-23(24)27(22)30-2/h4-11,15,20-21H,12-14,16-17H2,1-3H3
InChIKey LONUOMNAZFFSNN-UHFFFAOYSA-N
Mol Weight 430.54 g/mol
Molecular Formula C28H30O4
Exact Mass 430.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ePevgPk4O6
Name 2-(benzyloxy)-6,7,11-trimethoxy-1,2,3,4,12,12a-hexahydronaphthacene
Alternate Name(s) 3-(benzyloxy)-6,10,11-trimethoxy-1,2,3,4,4a,5-hexahydronaphthacene
CAS Registry Number 114506-39-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O4
InChI InChI=1S/C28H30O4/c1-29-25-11-7-10-22-26(25)28(31-3)24-15-19-12-13-21(32-17-18-8-5-4-6-9-18)14-20(19)16-23(24)27(22)30-2/h4-11,15,20-21H,12-14,16-17H2,1-3H3
InChIKey LONUOMNAZFFSNN-UHFFFAOYSA-N
Molecular Weight 430.544 g/mol
SMILES c12c(c(OC)c3c(c2OC)c(OC)ccc3)CC2C(=C1)CCC(OCc1ccccc1)C2
SPLASH splash10-001i-0001900000-b22dca718af46b775dff
Source of Spectrum J-53-2978-27
Wiley ID 1381738