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3,4,5,6-Tetrahydro-7-acetoxy-2-(1,3-dithian-2-yl)-2,6-methano-2H-1-benzoxocin
SpectraBase Compound ID 4V3eSohIV61
InChI InChI=1S/C18H22O3S2/c1-12(19)20-14-6-2-7-15-16(14)13-5-3-8-18(11-13,21-15)17-22-9-4-10-23-17/h2,6-7,13,17H,3-5,8-11H2,1H3
InChIKey ATSSINJDHLQYKF-UHFFFAOYSA-N
Mol Weight 350.49 g/mol
Molecular Formula C18H22O3S2
Exact Mass 350.101037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H54stKETzsB
Name 3,4,5,6-Tetrahydro-7-acetoxy-2-(1,3-dithian-2-yl)-2,6-methano-2H-1-benzoxocin
Alternate Name(s) 9-(1,3-dithian-2-yl)-8-oxatricyclo[7.3.1.0(2,7)]trideca-2,4,6-trien-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O3S2
InChI InChI=1S/C18H22O3S2/c1-12(19)20-14-6-2-7-15-16(14)13-5-3-8-18(11-13,21-15)17-22-9-4-10-23-17/h2,6-7,13,17H,3-5,8-11H2,1H3
InChIKey ATSSINJDHLQYKF-UHFFFAOYSA-N
Molecular Weight 350.491 g/mol
SMILES C12(Oc3cccc(c3C(C2)CCC1)OC(=O)C)C1SCCCS1
SPLASH splash10-0udi-0097000000-5299347c840dd2249815
Source of Spectrum QB-12-633-4
Wiley ID 840939