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syn-8-Chloro-2,3-(10,11-dimethoxybenzo)-5,6-benzobicyclo[2.2.2]octa-2,5-dien-anti-7-ol Acetate
SpectraBase Compound ID 7CJpbaMEYL
InChI InChI=1S/C20H19ClO4/c1-10(22)25-20-18-12-7-5-4-6-11(12)17(19(20)21)13-8-15(23-2)16(24-3)9-14(13)18/h4-9,17-20H,1-3H3/t17-,18+,19-,20-/m1/s1
InChIKey XLWWSXDIIPQCEB-IYWMVGAKSA-N
Mol Weight 358.82 g/mol
Molecular Formula C20H19ClO4
Exact Mass 358.097187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7t8y9rnqqn9
Name syn-8-Chloro-2,3-(10,11-dimethoxybenzo)-5,6-benzobicyclo[2.2.2]octa-2,5-dien-anti-7-ol Acetate
Alternate Name(s) 16-chloro-4,5-dimethoxytetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaen-15-yl acetate
CAS Registry Number 96690-12-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19ClO4
InChI InChI=1S/C20H19ClO4/c1-10(22)25-20-18-12-7-5-4-6-11(12)17(19(20)21)13-8-15(23-2)16(24-3)9-14(13)18/h4-9,17-20H,1-3H3/t17-,18+,19-,20-/m1/s1
InChIKey XLWWSXDIIPQCEB-IYWMVGAKSA-N
Molecular Weight 358.821 g/mol
SMILES [C@]12(c3c(cc(c(c3)OC)OC)[C@@](c3c1cccc3)([C@]([C@@]2(OC(=O)C)[H])(Cl)[H])[H])[H]
SPLASH splash10-000i-4693000000-03bebb2470c5ddeeef78
Source of Spectrum J-50-2704-0
Wiley ID 1347024