(1R,2R,3R,4S)-3-((S)-3-Tert-butoxy-1-methyl-pyrrolidin-2-yl)-bicyclo[2.2.1]heptan-2-ol

SpectraBase Compound ID	HnDNiZECvEf
InChI	InChI=1S/C16H29NO2/c1-16(2,3)19-12-7-8-17(4)14(12)13-10-5-6-11(9-10)15(13)18/h10-15,18H,5-9H2,1-4H3/t10-,11+,12-,13+,14?,15+/m0/s1
InChIKey	UXDWYYWMOVXGPE-AQSJMSBDSA-N Google Search
Mol Weight	267.41 g/mol
Molecular Formula	C16H29NO2
Exact Mass	267.219829 g/mol

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SpectraBase Spectrum ID	9k0UabuNIlR
Name	(1R,2R,3R,4S)-3-((S)-3-Tert-butoxy-1-methyl-pyrrolidin-2-yl)-bicyclo[2.2.1]heptan-2-ol
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	267.219829176 u
Formula	C16H29NO2
InChI	InChI=1S/C16H29NO2/c1-16(2,3)19-12-7-8-17(4)14(12)13-10-5-6-11(9-10)15(13)18/h10-15,18H,5-9H2,1-4H3/t10-,11+,12-,13+,14?,15+/m0/s1
InChIKey	UXDWYYWMOVXGPE-AQSJMSBDSA-N
Molecular Weight	267.413 g/mol
SMILES	[C@@]1(C2[C@@](OC(C)(C)C)(CCN2C)[H])([C@@]2(C[C@]([C@]1(O)[H])(CC2)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.937115