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2,3-(Methylenedioxy)-6,9-epoxy-9-(3-acetoxypropyl)-5,6,7,8-tetrahydrobenzo[a]cycloheptene
SpectraBase Compound ID 4CHS3qF2G7T
InChI InChI=1S/C17H20O5/c1-11(18)19-6-2-4-17-5-3-13(22-17)7-12-8-15-16(9-14(12)17)21-10-20-15/h8-9,13H,2-7,10H2,1H3/t13-,17+/m1/s1
InChIKey VUJLYQUVYHSLJB-DYVFJYSZSA-N
Mol Weight 304.34 g/mol
Molecular Formula C17H20O5
Exact Mass 304.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdOJSpMVncj
Name 2,3-(Methylenedioxy)-6,9-epoxy-9-(3-acetoxypropyl)-5,6,7,8-tetrahydrobenzo[a]cycloheptene
Alternate Name(s) 3-[5,7,15-trioxatetracyclo[10.2.1.0(2,10).0(4,8)]pentadeca-2(10),3,8-trien-1-yl]propyl acetate
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Formula C17H20O5
InChI InChI=1S/C17H20O5/c1-11(18)19-6-2-4-17-5-3-13(22-17)7-12-8-15-16(9-14(12)17)21-10-20-15/h8-9,13H,2-7,10H2,1H3/t13-,17+/m1/s1
InChIKey VUJLYQUVYHSLJB-DYVFJYSZSA-N
Molecular Weight 304.342 g/mol
SMILES [C@]12(c3c(cc4c(c3)OCO4)C[C@](O2)(CC1)[H])CCCOC(=O)C
SPLASH splash10-0fb9-0394000000-a546f2f98f73898c1203
Source of Spectrum KC-0-1190-5
Wiley ID 827851