cis-1-(2-Benzyloxymethyl)-4-[(2-bromo-1,1-dimethyl)-ethyl]-3-methoxy-azetidin-2-one

SpectraBase Compound ID	9GfZRGXzp4F
InChI	InChI=1S/C17H24BrNO3/c1-17(2,12-18)15-14(21-3)16(20)19(15)9-10-22-11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3/t14-,15-/m0/s1
InChIKey	QHZAUGQPBPMPBE-GJZGRUSLSA-N Google Search
Mol Weight	370.29 g/mol
Molecular Formula	C17H24BrNO3
Exact Mass	369.093957 g/mol

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SpectraBase Spectrum ID	E1Z6xaeJo3g
Name	cis-1-(2-Benzyloxymethyl)-4-[(2-bromo-1,1-dimethyl)-ethyl]-3-methoxy-azetidin-2-one
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	369.093956634 u
Formula	C17H24BrNO3
InChI	InChI=1S/C17H24BrNO3/c1-17(2,12-18)15-14(21-3)16(20)19(15)9-10-22-11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3/t14-,15-/m0/s1
InChIKey	QHZAUGQPBPMPBE-GJZGRUSLSA-N
Molecular Weight	370.287 g/mol
SMILES	C1(N([C@@]([C@@]1(OC)[H])(C(CBr)(C)C)[H])CCOCC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.873452