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(1-Tert-butyl-4-oxidanylidene-azetidin-2-yl) benzoate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(1-Tert-butyl-4-oxidanylidene-azetidin-2-yl) benzoate
SpectraBase Compound ID IfFY7dIc326
InChI InChI=1S/C14H17NO3/c1-14(2,3)15-11(16)9-12(15)18-13(17)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKey GOVBHIQBFUQRNF-UHFFFAOYSA-N
Mol Weight 247.29 g/mol
Molecular Formula C14H17NO3
Exact Mass 247.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9PgJt37THyl
Name (1-Tert-butyl-4-oxidanylidene-azetidin-2-yl) benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.120843408 u
Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c1-14(2,3)15-11(16)9-12(15)18-13(17)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKey GOVBHIQBFUQRNF-UHFFFAOYSA-N
Molecular Weight 247.294 g/mol
SMILES C1(N(C(C1)OC(=O)C1=CC=CC=C1)C(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.821329