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Cis-2-benzoyl-1-(1H-indole-3-carbonyl)-3-(3-bromophenyl)-cyclopropanecarbonitrile
SpectraBase Compound ID I4gCFZHscCQ
InChI InChI=1S/C26H17BrN2O2/c27-18-10-6-9-17(13-18)22-23(24(30)16-7-2-1-3-8-16)26(22,15-28)25(31)20-14-29-21-12-5-4-11-19(20)21/h1-14,22-23,29H/t22?,23-,26+/m1/s1
InChIKey CZVNBAZEOYGIRE-AGRRDESQSA-N
Mol Weight 469.34 g/mol
Molecular Formula C26H17BrN2O2
Exact Mass 468.047341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eELRoX1GKg
Name Cis-2-benzoyl-1-(1H-indole-3-carbonyl)-3-(3-bromophenyl)-cyclopropanecarbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C26H17BrN2O2
InChI InChI=1S/C26H17BrN2O2/c27-18-10-6-9-17(13-18)22-23(24(30)16-7-2-1-3-8-16)26(22,15-28)25(31)20-14-29-21-12-5-4-11-19(20)21/h1-14,22-23,29H/t22?,23-,26+/m1/s1
InChIKey CZVNBAZEOYGIRE-AGRRDESQSA-N
Molecular Weight 469.338 g/mol
SMILES [nH]1c2c(c(c1)C([C@]1(C(c3cc(Br)ccc3)[C@@]1(C(=O)c1ccccc1)[H])C#N)=O)cccc2
SPLASH splash10-0a4i-0900200000-ccd194da08e4c816e221
Source of Spectrum Y-47-1122-4c
Wiley ID 1667335