SpectraBase Spectrum ID |
C4hFuQhrNX2 |
Name |
Spiro[12-acetoxy-7-drimen-9,4'-1'-aza-3'-oxacyclopentan-2'-one] |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
321.194008349 u |
Formula |
C18H27NO4 |
InChI |
InChI=1S/C18H27NO4/c1-12(20)22-10-13-6-7-14-16(2,3)8-5-9-17(14,4)18(13)11-23-15(21)19-18/h6,14H,5,7-11H2,1-4H3,(H,19,21)/t14?,17-,18+/m0/s1 |
InChIKey |
NNNJKVLFDVLHDD-CXRLMVSZSA-N |
Molecular Weight |
321.417 g/mol |
SMILES |
[C@]12([C@@]3(C(C(C)(C)CCC3)CC=C1COC(=O)C)C)NC(=O)OC2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947496 |