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1,7-Bis(benzyloxy)-4-heptanone

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

1,7-Bis(benzyloxy)-4-heptanone
SpectraBase Compound ID 736xvoX91hQ
InChI InChI=1S/C21H26O3/c22-21(13-7-15-23-17-19-9-3-1-4-10-19)14-8-16-24-18-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2
InChIKey YKPXQRFLWUHCEY-UHFFFAOYSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K0q6TW7N06U
Name 1,7-bis(Benzyloxy)-4-heptanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.188194694 u
Formula C21H26O3
InChI InChI=1S/C21H26O3/c22-21(13-7-15-23-17-19-9-3-1-4-10-19)14-8-16-24-18-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2
InChIKey YKPXQRFLWUHCEY-UHFFFAOYSA-N
Molecular Weight 326.436 g/mol
SMILES C(=O)(CCCOCC1=CC=CC=C1)CCCOCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.864829