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1-Naphthalenecarboxylic acid, 1,2,3,4,9,9a-hexahydro-2,3-bis(methylene)-1,4-epoxyanthracen-5-yl ester, (1.alpha.,4.alpha.,9a.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

1-Naphthalenecarboxylic acid, 1,2,3,4,9,9a-hexahydro-2,3-bis(methylene)-1,4-epoxyanthracen-5-yl ester, (1.alpha.,4.alpha.,9a.alpha.)-(.+-.)-
SpectraBase Compound ID MXbHVbntif
InChI InChI=1S/C27H20O3/c1-15-16(2)26-23-14-21-18(13-22(23)25(15)30-26)9-6-12-24(21)29-27(28)20-11-5-8-17-7-3-4-10-19(17)20/h3-12,14,22,25-26H,1-2,13H2/t22-,25-,26+/m1/s1
InChIKey XFBVOTPZGBJAMB-RCXJIHSJSA-N
Mol Weight 392.45 g/mol
Molecular Formula C27H20O3
Exact Mass 392.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19vARmkcjcf
Name 1-Naphthalenecarboxylic acid, 1,2,3,4,9,9a-hexahydro-2,3-bis(methylene)-1,4-epoxyanthracen-5-yl ester, (1.alpha.,4.alpha.,9a.alpha.)-(.+-.)-
CAS Registry Number 86963-95-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20O3
InChI InChI=1S/C27H20O3/c1-15-16(2)26-23-14-21-18(13-22(23)25(15)30-26)9-6-12-24(21)29-27(28)20-11-5-8-17-7-3-4-10-19(17)20/h3-12,14,22,25-26H,1-2,13H2/t22-,25-,26+/m1/s1
InChIKey XFBVOTPZGBJAMB-RCXJIHSJSA-N
Molecular Weight 392.454 g/mol
SMILES C=12[C@@]3(C(=C)C([C@@]([C@@]2(Cc2c(C1)c(OC(c1c4c(cccc4)ccc1)=O)ccc2)[H])([H])O3)=C)[H]
SPLASH splash10-0a4i-9000000000-035788c431040ea6fb56
Source of Spectrum F-40-4555-0
Synonyms (1R,11R,12S)-13,14-dimethylene-15-oxatetracyclo[10.2.1.0(2,11).0(4,9)]pentadeca-2,4,6,8-tetraen-5-yl 1-naphthoate (5RS,8RS,10aSR)-6,7-dimethylidene-5,8-epoxy-5,6,7,8,10,10a-hexahydro-1-anthryl .alpha.-naphthoate 1,4-Epoxyanthracene, 1-naphthalenecarboxylic acid deriv.
Wiley ID 1366066