(1R,3S,6S)-N-1-(Tert-butoxycarbonyl)-6-isopropyl-1-methyl-8-oxo-5-phenyl-4,7-diazaspiro[2,5]-4-octene

SpectraBase Compound ID	WFMf6uHTyl
InChI	InChI=1S/C21H28N2O3/c1-13(2)17-16(15-10-8-7-9-11-15)22-21(12-14(21)3)18(24)23(17)19(25)26-20(4,5)6/h7-11,13-14,17H,12H2,1-6H3/t14-,17+,21+/m1/s1
InChIKey	OLQOXIHHUJZARC-FNXXIHLHSA-N Google Search
Mol Weight	356.47 g/mol
Molecular Formula	C21H28N2O3
Exact Mass	356.209993 g/mol

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SpectraBase Spectrum ID	663Pm2Tdqf6
Name	(1R,3S,6S)-N-1-(Tert-butoxycarbonyl)-6-isopropyl-1-methyl-8-oxo-5-phenyl-4,7-diazaspiro[2,5]-4-octene
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	356.209992767 u
Formula	C21H28N2O3
InChI	InChI=1S/C21H28N2O3/c1-13(2)17-16(15-10-8-7-9-11-15)22-21(12-14(21)3)18(24)23(17)19(25)26-20(4,5)6/h7-11,13-14,17H,12H2,1-6H3/t14-,17+,21+/m1/s1
InChIKey	OLQOXIHHUJZARC-FNXXIHLHSA-N
Molecular Weight	356.466 g/mol
SMILES	C1(N([C@](C(=N[C@]11C[C@]1(C)[H])C1=CC=CC=C1)(C(C)C)[H])C(OC(C)(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.908434