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5'-Acetyl-1',3',6,7-tetrahydro-1H-spiro[S-indacene-2,2'-inden]-5(3H)-one
SpectraBase Compound ID 9hPnupvs9Vi
InChI InChI=1S/C22H20O2/c1-13(23)14-2-3-16-9-22(10-17(16)6-14)11-18-7-15-4-5-21(24)20(15)8-19(18)12-22/h2-3,6-8H,4-5,9-12H2,1H3
InChIKey JQIMPXNUWOWHDI-UHFFFAOYSA-N
Mol Weight 316.4 g/mol
Molecular Formula C22H20O2
Exact Mass 316.14633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F26e4bYVT5R
Name 5'-Acetyl-1',3',6,7-tetrahydro-1H-spiro[S-indacene-2,2'-inden]-5(3H)-one
Comments Computed using HOSE algorithm
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Exact Mass 316.146329882 u
Formula C22H20O2
InChI InChI=1S/C22H20O2/c1-13(23)14-2-3-16-9-22(10-17(16)6-14)11-18-7-15-4-5-21(24)20(15)8-19(18)12-22/h2-3,6-8H,4-5,9-12H2,1H3
InChIKey JQIMPXNUWOWHDI-UHFFFAOYSA-N
Molecular Weight 316.400 g/mol
SMILES C1C2(CC3=C1C=C1C(=C3)C(CC1)=O)CC1=CC=C(C=C1C2)C(=O)C