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5,10-Methano-5H-dibenzo[a,d]cyclohepten-11(10H)-one, 12-chloro-7-methoxy-, (5.alpha.,10.alpha.,12S*)-
SpectraBase Compound ID E2K5QV6x9AH
InChI InChI=1S/C17H13ClO2/c1-20-9-6-7-11-13(8-9)14-10-4-2-3-5-12(10)17(19)15(11)16(14)18/h2-8,14-16H,1H3/t14-,15+,16+/m1/s1
InChIKey SLMSGKWWQOBCOW-PMPSAXMXSA-N
Mol Weight 284.74 g/mol
Molecular Formula C17H13ClO2
Exact Mass 284.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kh7v2uDirz9
Name 5,10-Methano-5H-dibenzo[a,d]cyclohepten-11(10H)-one, 12-chloro-7-methoxy-, (5.alpha.,10.alpha.,12S*)-
CAS Registry Number 106247-49-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13ClO2
InChI InChI=1S/C17H13ClO2/c1-20-9-6-7-11-13(8-9)14-10-4-2-3-5-12(10)17(19)15(11)16(14)18/h2-8,14-16H,1H3/t14-,15+,16+/m1/s1
InChIKey SLMSGKWWQOBCOW-PMPSAXMXSA-N
Molecular Weight 284.742 g/mol
SMILES [C@@]12(C(c3ccccc3[C@]([C@@]2(Cl)[H])([H])c2c1ccc(OC)c2)=O)[H]
SPLASH splash10-00lb-0190000000-76332c69d00ad214d4bb
Source of Spectrum C-109-835-29
Synonyms (1R,9S,16S)-16-chloro-13-methoxytetracyclo[7.6.1.0(2,7).0(10,15)]hexadeca-2,4,6,10,12,14-hexaen-8-one Anti-8-chloro-6,7-(15-methoxybenzo)-2,3-benzobicyclo[3.2.1]octa-2,6-dien-4-one syn-8-chloro-6,7-(15-methoxybenzo)-2,3-benzobicyclo[3.2.1]octa-2,6-dien-4-one
Wiley ID 1288004