1-[(Benzyloxy)carbonyl]-3-(1'-isopropenyl)-8,8-dimethyl-7,9-dioxa-1-aztricycloundecane

SpectraBase Compound ID	1ChuUHShdcl
InChI	InChI=1S/C21H27NO4/c1-13(2)16-11-22(20(23)24-12-14-8-6-5-7-9-14)18-15(16)10-17-19(18)26-21(3,4)25-17/h5-9,15-19H,1,10-12H2,2-4H3/t15-,16+,17+,18+,19+/m0/s1
InChIKey	VJNXMNWZZTUFCV-UURKPOQGSA-N Google Search
Mol Weight	357.45 g/mol
Molecular Formula	C21H27NO4
Exact Mass	357.194008 g/mol

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SpectraBase Spectrum ID	HlNNsCk1k6S
Name	1-[(Benzyloxy)carbonyl]-3-(1'-isopropenyl)-8,8-dimethyl-7,9-dioxa-1-aztricycloundecane
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	357.194008349 u
Formula	C21H27NO4
InChI	InChI=1S/C21H27NO4/c1-13(2)16-11-22(20(23)24-12-14-8-6-5-7-9-14)18-15(16)10-17-19(18)26-21(3,4)25-17/h5-9,15-19H,1,10-12H2,2-4H3/t15-,16+,17+,18+,19+/m0/s1
InChIKey	VJNXMNWZZTUFCV-UURKPOQGSA-N
Molecular Weight	357.450 g/mol
SMILES	[C@]12(N(C[C@@]([C@@]1(C[C@@]1([C@]2(OC(O1)(C)C)[H])[H])[H])(C(=C)C)[H])C(OCC1=CC=CC=C1)=O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.900547