(E)-tert-butyl 3-(6-((2S,4S,5S)-3,4-dimethyl-5-phenyloxazolidin-2-yl)benzo[d][1,3]dioxol-5-yl)acrylate

SpectraBase Compound ID	Kj5b0ITH4bW
InChI	InChI=1S/C25H29NO5/c1-16-23(17-9-7-6-8-10-17)30-24(26(16)5)19-14-21-20(28-15-29-21)13-18(19)11-12-22(27)31-25(2,3)4/h6-14,16,23-24H,15H2,1-5H3/b12-11+/t16-,23+,24-/m0/s1
InChIKey	HRAVHYJCDKTEBK-KMJQNWTFSA-N Google Search
Mol Weight	423.51 g/mol
Molecular Formula	C25H29NO5
Exact Mass	423.204573 g/mol

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SpectraBase Spectrum ID	6Wmnliahn2G
Name	(E)-Tert-butyl 3-(6-((2S,4S,5S)-3,4-dimethyl-5-phenyloxazolidin-2-yl)benzo[D][1,3]dioxol-5-yl)acrylate
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	423.204573033 u
Formula	C25H29NO5
InChI	InChI=1S/C25H29NO5/c1-16-23(17-9-7-6-8-10-17)30-24(26(16)5)19-14-21-20(28-15-29-21)13-18(19)11-12-22(27)31-25(2,3)4/h6-14,16,23-24H,15H2,1-5H3/b12-11+/t16-,23+,24-/m0/s1
InChIKey	HRAVHYJCDKTEBK-KMJQNWTFSA-N
Molecular Weight	423.509 g/mol
SMILES	C1=C(\C=C\C(OC(C)(C)C)=O)C(=CC=2OCOC12)[C@@]1([H])N(C)[C@@](C)([C@](C2=CC=CC=C2)(O1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.896731