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(5R,6S,7R,8S)-6-(4-chlorophenyl)-7-(2-hydroxyehtyl)-5,6,7,8-tetrahydro-9H-5,8-epoxybenzo[7]annulen-9-one
SpectraBase Compound ID 5ZjJA02wkP5
InChI InChI=1S/C19H17ClO3/c20-12-7-5-11(6-8-12)16-15(9-10-21)19-17(22)13-3-1-2-4-14(13)18(16)23-19/h1-8,15-16,18-19,21H,9-10H2/t15-,16-,18-,19-/m1/s1
InChIKey JPKAVVVEYDCMIL-PSBWJHGTSA-N
Mol Weight 328.8 g/mol
Molecular Formula C19H17ClO3
Exact Mass 328.086622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Zcn0c2i2id
Name (5R,6S,7R,8S)-6-(4-chlorophenyl)-7-(2-hydroxyehtyl)-5,6,7,8-tetrahydro-9H-5,8-epoxybenzo[7]annulen-9-one
Alternate Name(s) (5S,6S,7R,8R)-6-(4-chlorophenyl)-7-(2-hydroxyethyl)-7,8-dihydro-5H-5,8-epoxybenzo[7]annulen-9(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17ClO3
InChI InChI=1S/C19H17ClO3/c20-12-7-5-11(6-8-12)16-15(9-10-21)19-17(22)13-3-1-2-4-14(13)18(16)23-19/h1-8,15-16,18-19,21H,9-10H2/t15-,16-,18-,19-/m1/s1
InChIKey JPKAVVVEYDCMIL-PSBWJHGTSA-N
Literature Reference DOI 10.1002/anie.201410723
Molecular Weight 328.795 g/mol
SMILES OCC[C@@]1([C@]([C@]2(c3c(C([C@@]1(O2)[H])=O)cccc3)[H])(c1ccc(cc1)Cl)[H])[H]
SPLASH splash10-00lb-1900000000-173822b80bf166084fbd
Source of Spectrum ACI-54-3043/SM16-5k
Wiley ID 1760462