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rel-(1R,3S,4S)-4-Acetoxy-6-methoxy-1,3-dimethyl-2-benzopyran
SpectraBase Compound ID GFBJSTHgn7z
InChI InChI=1S/C14H18O4/c1-8-12-6-5-11(16-4)7-13(12)14(9(2)17-8)18-10(3)15/h5-9,14H,1-4H3/t8-,9+,14-/m1/s1
InChIKey LEKDTANUWNCDBE-TVLCNXBWSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7YZUF6t3pE0
Name rel-(1R,3S,4S)-4-Acetoxy-6-methoxy-1,3-dimethyl-2-benzopyran
Appearance Oil
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Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-8-12-6-5-11(16-4)7-13(12)14(9(2)17-8)18-10(3)15/h5-9,14H,1-4H3/t8-,9+,14-/m1/s1
InChIKey LEKDTANUWNCDBE-TVLCNXBWSA-N
Instrument Name Finnigan-MAT GCQ
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.206
Molecular Weight 250.294 g/mol
SMILES c1cc2c(cc1OC)[C@@]([C@@](O[C@@]2(C)[H])(C)[H])(OC(C)=O)[H]
SPLASH splash10-004i-0910000000-06999eece8daa74c1432
Source of Spectrum ARK-2010-89-27
Wiley ID 1866834