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4,8-Epoxynaphtho(2,3-c)furan-1,3-dione, 3a,4,9,9a-tetrahydro-3a,9a-dimethyl-, (3a-alpha,4-beta,9-beta,9a-alpha)-
SpectraBase Compound ID JbhD83aV0hX
InChI InChI=1S/C14H12O4/c1-13-9-7-5-3-4-6-8(7)10(17-9)14(13,2)12(16)18-11(13)15/h3-6,9-10H,1-2H3/t9-,10+,13+,14-
InChIKey FJDBOPOHCNHIFM-DHPDLVEQSA-N
Mol Weight 244.25 g/mol
Molecular Formula C14H12O4
Exact Mass 244.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QyybBM4cUs
Name 4,8-Epoxynaphtho(2,3-c)furan-1,3-dione, 3a,4,9,9a-tetrahydro-3a,9a-dimethyl-, (3a-alpha,4-beta,9-beta,9a-alpha)-
Alternate Name(s) Benzocantharidin BRN 4695331
CAS Registry Number 82799-13-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O4
InChI InChI=1S/C14H12O4/c1-13-9-7-5-3-4-6-8(7)10(17-9)14(13,2)12(16)18-11(13)15/h3-6,9-10H,1-2H3/t9-,10+,13+,14-
InChIKey FJDBOPOHCNHIFM-DHPDLVEQSA-N
Molecular Weight 244.246 g/mol
SMILES [C@@]12([C@@](C(=O)OC2=O)([C@@]2([H])O[C@@]1(c1c2cccc1)[H])C)C
SPLASH splash10-014i-0900000000-f58515e839c9393eb724
Source of Spectrum J-47-4012-0
Wiley ID 1247060