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(3S,3aR)-3-Chloro-1-N-p-methoxyphenyl-azaazulen-2(1H)-one
SpectraBase Compound ID sEPBRLkvCX
InChI InChI=1S/C16H14ClNO2/c1-20-12-9-7-11(8-10-12)18-14-6-4-2-3-5-13(14)15(17)16(18)19/h2-10,13,15H,1H3/t13-,15+/m1/s1
InChIKey UXIVYNGVFDNUSX-HIFRSBDPSA-N
Mol Weight 287.75 g/mol
Molecular Formula C16H14ClNO2
Exact Mass 287.071306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Slws3l3pHO
Name (3S,3aR)-3-Chloro-1-N-p-methoxyphenyl-azaazulen-2(1H)-one
Alternate Name(s) (3S,3aR)-3-chloro-1-(4-methoxyphenyl)-3,3a-dihydrocyclohepta[b]pyrrol-2(1H)-one 3-Chloro-1-N-p-methoxyphenyl-azaazulen-2(1H)-one
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Formula C16H14ClNO2
InChI InChI=1S/C16H14ClNO2/c1-20-12-9-7-11(8-10-12)18-14-6-4-2-3-5-13(14)15(17)16(18)19/h2-10,13,15H,1H3/t13-,15+/m1/s1
InChIKey UXIVYNGVFDNUSX-HIFRSBDPSA-N
Molecular Weight 287.746 g/mol
SMILES C1(N(C=2[C@]([C@@]1(Cl)[H])(C=CC=CC2)[H])c1ccc(cc1)OC)=O
SPLASH splash10-0udi-0190000000-cf0a49121b1ca24eb2f8
Source of Spectrum AJ-65-815-6
Wiley ID 771187