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(1S,2R)-4',6'-dimethyl-2-phenylspiro[cyclopropane-1,3'-indolin]-2'-one
SpectraBase Compound ID 3q2NpDDWPTA
InChI InChI=1S/C18H17NO/c1-11-8-12(2)16-15(9-11)19-17(20)18(16)10-14(18)13-6-4-3-5-7-13/h3-9,14H,10H2,1-2H3,(H,19,20)/t14-,18+/m1/s1
InChIKey SNTMZNMPRNMTLT-KDOFPFPSSA-N
Mol Weight 263.34 g/mol
Molecular Formula C18H17NO
Exact Mass 263.131014 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KmTp4ZcmG32
Name (1S,2R)-4',6'-Dimethyl-2-phenylspiro[cyclopropane-1,3'-indolin]-2'-one
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 263.131014170 u
Formula C18H17NO
InChI InChI=1S/C18H17NO/c1-11-8-12(2)16-15(9-11)19-17(20)18(16)10-14(18)13-6-4-3-5-7-13/h3-9,14H,10H2,1-2H3,(H,19,20)/t14-,18+/m1/s1
InChIKey SNTMZNMPRNMTLT-KDOFPFPSSA-N
Molecular Weight 263.340 g/mol
SMILES C1[C@@](C2=CC=CC=C2)([H])[C@@]11C(NC2=CC(=CC(=C12)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937946