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Rel-(6aS,10aS)- ethyl 2-chloro-9-methyl-6-oxo-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene-6a-carboxylate
SpectraBase Compound ID HseuUMshAC0
InChI InChI=1S/C17H17ClO4/c1-3-21-15(19)17-7-6-10(2)8-13(17)12-9-11(18)4-5-14(12)22-16(17)20/h4-6,9,13H,3,7-8H2,1-2H3/t13-,17-/m0/s1
InChIKey ARWPSDCFJLCWLW-GUYCJALGSA-N
Mol Weight 320.77 g/mol
Molecular Formula C17H17ClO4
Exact Mass 320.081537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EavbJaUoGK
Name Rel-(6aS,10aS)- ethyl 2-chloro-9-methyl-6-oxo-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene-6a-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17ClO4
InChI InChI=1S/C17H17ClO4/c1-3-21-15(19)17-7-6-10(2)8-13(17)12-9-11(18)4-5-14(12)22-16(17)20/h4-6,9,13H,3,7-8H2,1-2H3/t13-,17-/m0/s1
InChIKey ARWPSDCFJLCWLW-GUYCJALGSA-N
Literature Reference DOI 10.1002/adsc.200505297
Molecular Weight 320.772 g/mol
SMILES c1(ccc2OC(=O)[C@]3(CC=C(C[C@]3(c2c1)[H])C)C(=O)OCC)Cl
SPLASH splash10-0002-0190000000-18db4c1c02494a91be02
Source of Spectrum ASC-348-297/SM7-3cx
Synonyms (6aS,10aS)-ethyl 2-chloro-9-methyl-6-oxo-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene-6a-carboxylate
Wiley ID 1765134