(1S,2R)-5'-bromo-2-phenylspiro[cyclopropane-1,3'-indolin]-2'-one

SpectraBase Compound ID	LmHViOH4a4v
InChI	InChI=1S/C16H12BrNO/c17-11-6-7-14-12(8-11)16(15(19)18-14)9-13(16)10-4-2-1-3-5-10/h1-8,13H,9H2,(H,18,19)/t13-,16-/m1/s1
InChIKey	FFAUACWNPAOLMB-CZUORRHYSA-N Google Search
Mol Weight	314.18 g/mol
Molecular Formula	C16H12BrNO
Exact Mass	313.010227 g/mol

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SpectraBase Spectrum ID	e5zwy1iUBr
Name	(1S,2R)-5'-Bromo-2-phenylspiro[cyclopropane-1,3'-indolin]-2'-one
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	313.010227009 u
Formula	C16H12BrNO
InChI	InChI=1S/C16H12BrNO/c17-11-6-7-14-12(8-11)16(15(19)18-14)9-13(16)10-4-2-1-3-5-10/h1-8,13H,9H2,(H,18,19)/t13-,16-/m1/s1
InChIKey	FFAUACWNPAOLMB-CZUORRHYSA-N
Molecular Weight	314.182 g/mol
SMILES	C1[C@]2(C(NC3=CC=C(Br)C=C23)=O)[C@]1(C1=CC=CC=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.952712