5-(R)-Methoxy-butyrolacto[3,4-b]-2(S)-6(R)-1-N-octadecylaziridine

SpectraBase Compound ID	Hne7b1oUidn
InChI	InChI=1S/C23H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-21(24)23(26-2)27-22(20)25/h20-21,23H,3-19H2,1-2H3/t20-,21+,23+,24?/m0/s1
InChIKey	WBYPOGRFXWRLQZ-QNECDRBKSA-N Google Search
Mol Weight	381.6 g/mol
Molecular Formula	C23H43NO3
Exact Mass	381.324294 g/mol

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SpectraBase Spectrum ID	5AiYMUkPJjw
Name	5-(R)-Methoxy-butyrolacto[3,4-B]-2(S)-6(R)-1-N-octadecylaziridine
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	381.324294246 u
Formula	C23H43NO3
InChI	InChI=1S/C23H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-21(24)23(26-2)27-22(20)25/h20-21,23H,3-19H2,1-2H3/t20-,21+,23+,24?/m0/s1
InChIKey	WBYPOGRFXWRLQZ-QNECDRBKSA-N
Molecular Weight	381.601 g/mol
SMILES	[C@]1([C@@]2([H])[C@](C(O1)=O)([H])N2CCCCCCCCCCCCCCCCCC)(OC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.881955