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(Phenylmethyl) 8-oxa-5-azabicyclo[5.1.0]octane-5-carboxylate
SpectraBase Compound ID FfCDLCPpD2O
InChI InChI=1S/C14H17NO3/c16-14(17-10-11-5-2-1-3-6-11)15-8-4-7-12-13(9-15)18-12/h1-3,5-6,12-13H,4,7-10H2
InChIKey WNWUYYZBSLFMHF-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 6YE60aMqDI1
Name (Phenylmethyl) 8-oxa-5-azabicyclo[5.1.0]octane-5-carboxylate
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/c16-14(17-10-11-5-2-1-3-6-11)15-8-4-7-12-13(9-15)18-12/h1-3,5-6,12-13H,4,7-10H2
InChIKey WNWUYYZBSLFMHF-UHFFFAOYSA-N
Molecular Weight 247.294 g/mol
SMILES C1N(CCCC2C1O2)C(=O)OCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.800717