SpectraBase Spectrum ID |
JToGnbfSEcc |
Name |
(1R,3S,6S)-N-1-(Tert-butoxycarbonyl)-6-isopropyl-1-ethyl-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 |
370.225642831 u |
Formula |
C22H30N2O3 |
InChI |
InChI=1S/C22H30N2O3/c1-7-16-13-22(16)19(25)24(20(26)27-21(4,5)6)18(14(2)3)17(23-22)15-11-9-8-10-12-15/h8-12,14,16,18H,7,13H2,1-6H3/t16-,18+,22+/m1/s1 |
InChIKey |
UOLDYDZYBNVVTA-NRJQMVOHSA-N |
Molecular Weight |
370.493 g/mol |
SMILES |
C1(N([C@](C(=N[C@]11C[C@]1(CC)[H])C1=CC=CC=C1)(C(C)C)[H])C(OC(C)(C)C)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936885 |