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7-Oxabicyclo[4.1.0]heptane, methanamine deriv.
SpectraBase Compound ID 9PPwXoC4sKA
InChI InChI=1S/C13H21NO2/c1-3-4-5-6-9-13-10-7-8-11(14(2)15)12(13)16-13/h3-4,12H,5-10H2,1-2H3/b4-3-,14-11+
InChIKey UVMUAOOBBRYSKV-DSBCBKPPSA-N
Mol Weight 223.32 g/mol
Molecular Formula C13H21NO2
Exact Mass 223.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DwsiJR86U3m
Name 7-Oxabicyclo[4.1.0]heptane, methanamine deriv.
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.157228918 u
Formula C13H21NO2
InChI InChI=1S/C13H21NO2/c1-3-4-5-6-9-13-10-7-8-11(14(2)15)12(13)16-13/h3-4,12H,5-10H2,1-2H3/b4-3-,14-11+
InChIKey UVMUAOOBBRYSKV-DSBCBKPPSA-N
Molecular Weight 223.316 g/mol
SMILES C12OC2(CCC\C1=[N+]/([O-])C)CCC\C=C/C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.805762