(4S)-4-[(1-Ethyl-1-hydroxyl)propyl]-2-[(2-hydroxyl-3,5-ditert-butyl)phenyl]-4,5-dihydro-1,3-oxazoline

SpectraBase Compound ID	Boqm85wc6V5
InChI	InChI=1S/C22H35NO3/c1-9-22(25,10-2)17-13-26-19(23-17)15-11-14(20(3,4)5)12-16(18(15)24)21(6,7)8/h11-12,17,24-25H,9-10,13H2,1-8H3/t17-/m0/s1
InChIKey	NDBCPFRYIFUQFQ-KRWDZBQOSA-N Google Search
Mol Weight	361.5 g/mol
Molecular Formula	C22H35NO3
Exact Mass	361.261694 g/mol

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SpectraBase Spectrum ID	301K1tRzprt
Name	(4S)-4-[(1-Ethyl-1-hydroxyl)propyl]-2-[(2-hydroxyl-3,5-ditert-butyl)phenyl]-4,5-dihydro-1,3-oxazoline
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	361.261693988 u
Formula	C22H35NO3
InChI	InChI=1S/C22H35NO3/c1-9-22(25,10-2)17-13-26-19(23-17)15-11-14(20(3,4)5)12-16(18(15)24)21(6,7)8/h11-12,17,24-25H,9-10,13H2,1-8H3/t17-/m0/s1
InChIKey	NDBCPFRYIFUQFQ-KRWDZBQOSA-N
Molecular Weight	361.526 g/mol
SMILES	C=1(C2=N[C@](C(O)(CC)CC)(CO2)[H])C(=C(C(C)(C)C)C=C(C1)C(C)(C)C)O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.955223