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14-Thia-4,12-dioxapentacyclo[16.12.8.4.4.1(1,9).0(5,6).0(2,7).0(10,11)]docosa-heptaene
SpectraBase Compound ID 7TTWQhJ64jf
InChI InChI=1S/C19H16O2S/c1-3-7-16-12(5-1)14-9-18-13-6-2-4-8-17(13)21-11-19(22-18)15(14)10-20-16/h1-9,14-15,19H,10-11H2/t14-,15-,19+/m1/s1
InChIKey IZMINIRUXOGJME-CLCXKQKWSA-N
Mol Weight 308.4 g/mol
Molecular Formula C19H16O2S
Exact Mass 308.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9z9CZ7zT7Ih
Name 14-Thia-4,12-dioxapentacyclo[16.12.8.4.4.1(1,9).0(5,6).0(2,7).0(10,11)]docosa-heptaene
Alternate Name(s) (1R,2S,11R)-4,20-dioxa-22-thiapentacyclo[11.8.1.0(2,11).0(5,10).0(14,19)]docosa-5,7,9,12,14,16,18-heptaene
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Formula C19H16O2S
InChI InChI=1S/C19H16O2S/c1-3-7-16-12(5-1)14-9-18-13-6-2-4-8-17(13)21-11-19(22-18)15(14)10-20-16/h1-9,14-15,19H,10-11H2/t14-,15-,19+/m1/s1
InChIKey IZMINIRUXOGJME-CLCXKQKWSA-N
Molecular Weight 308.395 g/mol
SMILES C12=C[C@@]3(c4c(cccc4)OC[C@]3([C@@](S1)(COc1c2cccc1)[H])[H])[H]
SPLASH splash10-056r-0095000000-541004a27f468ebc63b3
Source of Spectrum D1-1996-73-3
Wiley ID 834817