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Tert-butyl 1-ethyl N-[(1R,2R,4R)-bornylidene]glutamate
SpectraBase Compound ID LOTeumGOQ28
InChI InChI=1S/C21H35NO4/c1-8-25-18(24)15(9-10-17(23)26-19(2,3)4)22-16-13-14-11-12-21(16,7)20(14,5)6/h14-15H,8-13H2,1-7H3/b22-16-/t14-,15?,21+/m1/s1
InChIKey DXAHEVHIYZYUBF-QULNRLSQSA-N
Mol Weight 365.5 g/mol
Molecular Formula C21H35NO4
Exact Mass 365.256609 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IVBDsrEOKas
Name Tert-butyl 1-ethyl N-[(1R,2R,4R)-bornylidene]glutamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.256608607 u
Formula C21H35NO4
InChI InChI=1S/C21H35NO4/c1-8-25-18(24)15(9-10-17(23)26-19(2,3)4)22-16-13-14-11-12-21(16,7)20(14,5)6/h14-15H,8-13H2,1-7H3/b22-16-/t14-,15?,21+/m1/s1
InChIKey DXAHEVHIYZYUBF-QULNRLSQSA-N
Molecular Weight 365.514 g/mol
SMILES [C@]12(\C(=N/C(C(=O)OCC)CCC(OC(C)(C)C)=O)C[C@@](C2(C)C)([H])CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936306