Benzyl N-[2-(tert-butoxycarbonylamino)ethyl]glycine ester

SpectraBase Compound ID	GgWgNz3bETS
InChI	InChI=1S/C16H24N2O4/c1-16(2,3)22-15(20)18-10-9-17-11-14(19)21-12-13-7-5-4-6-8-13/h4-8,17H,9-12H2,1-3H3,(H,18,20)
InChIKey	VQDXMUMZYOSYLZ-UHFFFAOYSA-N Google Search
Mol Weight	308.38 g/mol
Molecular Formula	C16H24N2O4
Exact Mass	308.173607 g/mol

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SpectraBase Spectrum ID	Lq8FqdpkHvh
Name	Benzyl N-[2-(tert-butoxycarbonylamino)ethyl]glycine ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	308.173607257 u
Formula	C16H24N2O4
InChI	InChI=1S/C16H24N2O4/c1-16(2,3)22-15(20)18-10-9-17-11-14(19)21-12-13-7-5-4-6-8-13/h4-8,17H,9-12H2,1-3H3,(H,18,20)
InChIKey	VQDXMUMZYOSYLZ-UHFFFAOYSA-N
Molecular Weight	308.378 g/mol
SMILES	C(OC(C)(C)C)(=O)NCCNCC(=O)OCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.892672