t-Butyl 3-(1',3'-benzodioxol-5'-yl)-2-[(t-butoxycarbonyl)amino]-propanoate

SpectraBase Compound ID	72XowmzZEu4
InChI	InChI=1S/C19H27NO6/c1-18(2,3)25-16(21)13(20-17(22)26-19(4,5)6)9-12-7-8-14-15(10-12)24-11-23-14/h7-8,10,13H,9,11H2,1-6H3,(H,20,22)
InChIKey	AQPFTQSDHZVHSL-UHFFFAOYSA-N Google Search
Mol Weight	365.43 g/mol
Molecular Formula	C19H27NO6
Exact Mass	365.183838 g/mol

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SpectraBase Spectrum ID	Ji3X22nnuQy
Name	T-Butyl 3-(1',3'-benzodioxol-5'-yl)-2-[(T-butoxycarbonyl)amino]-propanoate
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	365.183837587 u
Formula	C19H27NO6
InChI	InChI=1S/C19H27NO6/c1-18(2,3)25-16(21)13(20-17(22)26-19(4,5)6)9-12-7-8-14-15(10-12)24-11-23-14/h7-8,10,13H,9,11H2,1-6H3,(H,20,22)
InChIKey	AQPFTQSDHZVHSL-UHFFFAOYSA-N
Molecular Weight	365.426 g/mol
SMILES	C(NC(C(OC(C)(C)C)=O)CC=1C=C2OCOC2=CC1)(OC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.948447