For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5,10-Methano-5H-dibenzo[a,d]cyclohepten-11(10H)-one, 12-chloro-2-methoxy-, (5.alpha.,10.alpha.,12S*)-
SpectraBase Compound ID LcMfGIauiNx
InChI InChI=1S/C17H13ClO2/c1-20-9-6-7-12-13(8-9)17(19)15-11-5-3-2-4-10(11)14(12)16(15)18/h2-8,14-16H,1H3/t14-,15-,16-/m0/s1
InChIKey VMCYAYWBXBTMCC-JYJNAYRXSA-N
Mol Weight 284.74 g/mol
Molecular Formula C17H13ClO2
Exact Mass 284.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IUyLLJc5A8
Name 5,10-Methano-5H-dibenzo[a,d]cyclohepten-11(10H)-one, 12-chloro-2-methoxy-, (5.alpha.,10.alpha.,12S*)-
CAS Registry Number 106247-53-4
Comments Less than 3 mono-isotopic peaks
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)17(19)15-11-5-3-2-4-10(11)14(12)16(15)18/h2-8,14-16H,1H3/t14-,15-,16-/m0/s1
InChIKey VMCYAYWBXBTMCC-JYJNAYRXSA-N
Molecular Weight 284.742 g/mol
SMILES [C@@]12(C(c3cc(OC)ccc3[C@]([C@@]2(Cl)[H])([H])c2c1cccc2)=O)[H]
SPLASH splash10-0002-0090000000-0edeb73a7918dead0052
Source of Spectrum C-109-835-25
Synonyms (1R,9S,16S)-16-chloro-5-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-(14-methoxybenzo)-2,3-benzobicyclo[3.2.1]octa-2,6-dien-4-one
Wiley ID 1288005