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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-hexaene
SpectraBase Compound ID E8p1bLhcQFD
InChI InChI=1S/C19H18O2S/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/h1-8,14-15,18-19H,9-11H2/t14-,15-,18-,19+/m1/s1
InChIKey ZFVBSJFBCNGALX-RGCFKVTRSA-N
Mol Weight 310.41 g/mol
Molecular Formula C19H18O2S
Exact Mass 310.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VwcBYn2lVg
Name 14-Thia-4,12-dioxapentacyclo[16.12.8.4.4.1(1,9).0(5,6).0(2,7).0(10,11)]docosa-hexaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O2S
InChI InChI=1S/C19H18O2S/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/h1-8,14-15,18-19H,9-11H2/t14-,15-,18-,19+/m1/s1
InChIKey ZFVBSJFBCNGALX-RGCFKVTRSA-N
Molecular Weight 310.411 g/mol
SMILES [C@@]12([C@]([C@@]3(COc4c([C@@](C2)(S3)[H])cccc4)[H])(COc2c1cccc2)[H])[H]
SPLASH splash10-03gi-0697000000-7199364e37090dead551
Source of Spectrum D1-1996-73-4a
Wiley ID 834815