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5,10-Methano-5H-dibenzo[a,d]cyclohepten-11(10H)-one, 12-chloro-3-methoxy-, (5.alpha.,10.alpha.,12R*)-
SpectraBase Compound ID LK4h5dDAoyz
InChI InChI=1S/C17H13ClO2/c1-20-9-6-7-12-13(8-9)14-10-4-2-3-5-11(10)15(16(14)18)17(12)19/h2-8,14-16H,1H3/t14-,15-,16-/m1/s1
InChIKey RWGBPUKIYDPRNB-BZUAXINKSA-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 DN1wIoQGH1M
Name 5,10-Methano-5H-dibenzo[a,d]cyclohepten-11(10H)-one, 12-chloro-3-methoxy-, (5.alpha.,10.alpha.,12R*)-
Alternate Name(s) (1R,9S,16R)-16-chloro-4-methoxytetracyclo[7.6.1.0(2,7).0(10,15)]hexadeca-2,4,6,10,12,14-hexaen-8-one syn-8-chloro-2,3-(10-methoxybenzo)-6,7-benzobicyclo[3.2.1]octa-2,6-dien-4-one
CAS Registry Number 106161-41-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13ClO2
InChI InChI=1S/C17H13ClO2/c1-20-9-6-7-12-13(8-9)14-10-4-2-3-5-11(10)15(16(14)18)17(12)19/h2-8,14-16H,1H3/t14-,15-,16-/m1/s1
InChIKey RWGBPUKIYDPRNB-BZUAXINKSA-N
Molecular Weight 284.742 g/mol
SMILES [C@]12(C(c3ccc(cc3[C@@]([C@]2(Cl)[H])([H])c2c1cccc2)OC)=O)[H]
SPLASH splash10-0002-0190000000-6fe25fec0d12e248c854
Source of Spectrum C-109-836-32
Wiley ID 1288007