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4-N-Propyl-trans-3-oxabicyclo[4.4.0]decane

View entire compound with spectra: 1 FTIR

4-N-Propyl-trans-3-oxabicyclo[4.4.0]decane
SpectraBase Compound ID 84tNqvgEW17
InChI InChI=1S/C12H22O/c1-2-5-12-8-10-6-3-4-7-11(10)9-13-12/h10-12H,2-9H2,1H3/t10-,11-,12?/m1/s1
InChIKey UKJJGYVJOPXGJT-XFKKCKKNSA-N
Mol Weight 182.31 g/mol
Molecular Formula C12H22O
Exact Mass 182.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FSPMl5Z59YH
Name 4-N-Propyl-trans-3-oxabicyclo[4.4.0]decane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.167065327 u
Formula C12H22O
InChI InChI=1S/C12H22O/c1-2-5-12-8-10-6-3-4-7-11(10)9-13-12/h10-12H,2-9H2,1H3/t10-,11-,12?/m1/s1
InChIKey UKJJGYVJOPXGJT-XFKKCKKNSA-N
Molecular Weight 182.307 g/mol
SMILES C1[C@]2([C@](CCC1)(CC(OC2)CCC)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913348