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3-Acetoxy]-2-(diethoxymethyl)-1-(oxiranyl)bicyclo[4.1.0]heptane

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

3-Acetoxy]-2-(diethoxymethyl)-1-(oxiranyl)bicyclo[4.1.0]heptane
SpectraBase Compound ID CL1JAdn0HaK
InChI InChI=1S/C16H26O5/c1-4-18-15(19-5-2)14-12(21-10(3)17)7-6-11-8-16(11,14)13-9-20-13/h11-15H,4-9H2,1-3H3/t11-,12+,13?,14+,16+/m0/s1
InChIKey XDFROJYIDAIYBK-CRUXFGQHSA-N
Mol Weight 298.38 g/mol
Molecular Formula C16H26O5
Exact Mass 298.178024 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LbkntsYQcxZ
Name 3-Acetoxy]-2-(diethoxymethyl)-1-(oxiranyl)bicyclo[4.1.0]heptane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.178023932 u
Formula C16H26O5
InChI InChI=1S/C16H26O5/c1-4-18-15(19-5-2)14-12(21-10(3)17)7-6-11-8-16(11,14)13-9-20-13/h11-15H,4-9H2,1-3H3/t11-,12+,13?,14+,16+/m0/s1
InChIKey XDFROJYIDAIYBK-CRUXFGQHSA-N
SMILES [C@@]12([C@@](CC[C@]([C@@]2(C(OCC)OCC)[H])(OC(=O)C)[H])(C1)[H])C1OC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875868