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(3S,4S)-3,4-Diethoxy-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione

View entire compound with spectra: 1 MS (GC)

(3S,4S)-3,4-Diethoxy-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
SpectraBase Compound ID 7yaGUH85Al0
InChI InChI=1S/C17H18O5/c1-3-20-16-13-12(9-22-17(16)21-4-2)14(18)10-7-5-6-8-11(10)15(13)19/h5-8,16-17H,3-4,9H2,1-2H3/t16-,17-/m0/s1
InChIKey CCIVYROLXZHKMU-IRXDYDNUSA-N
Mol Weight 302.33 g/mol
Molecular Formula C17H18O5
Exact Mass 302.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tYGABhO2C
Name (3S,4S)-3,4-Diethoxy-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
Alternate Name(s) (3S,4S)-3,4-diethoxy-3,4-dihydro-1H-naphtho[2,3-c]pyran-5,10-dione trans-3,4-Diethoxy-3,4-dihydro-1H-naphtho[2,3-c]pyran-5,10-dione
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Formula C17H18O5
InChI InChI=1S/C17H18O5/c1-3-20-16-13-12(9-22-17(16)21-4-2)14(18)10-7-5-6-8-11(10)15(13)19/h5-8,16-17H,3-4,9H2,1-2H3/t16-,17-/m0/s1
InChIKey CCIVYROLXZHKMU-IRXDYDNUSA-N
Molecular Weight 302.326 g/mol
SMILES C12=C(C(=O)c3c(C2=O)cccc3)CO[C@@]([C@]1(OCC)[H])(OCC)[H]
SPLASH splash10-00fu-0960000000-cc7c62028a8fe11a61ff
Source of Spectrum F-62-5156-7
Wiley ID 1633471