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Spiro[12-acetoxy-7-drimen-9,4'-1'-aza-3'-oxacyclopentan-2'-one]
SpectraBase Compound ID 4qOdoSv95JO
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
Mol Weight 321.42 g/mol
Molecular Formula C18H27NO4
Exact Mass 321.194008 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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