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(6S,9R)-9-Benzyloxy-1,7-dioxaspiro[5.5]undecan-4-one

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

(6S,9R)-9-Benzyloxy-1,7-dioxaspiro[5.5]undecan-4-one
SpectraBase Compound ID 3P2QcFukq7H
InChI InChI=1S/C16H20O4/c17-14-7-9-19-16(10-14)8-6-15(12-20-16)18-11-13-4-2-1-3-5-13/h1-5,15H,6-12H2/t15-,16+/m1/s1
InChIKey CMZVEQNFNZVQPG-CVEARBPZSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3E7eSxz0Mdz
Name (6S,9R)-9-Benzyloxy-1,7-dioxaspiro[5.5]undecan-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.136159120 u
Formula C16H20O4
InChI InChI=1S/C16H20O4/c17-14-7-9-19-16(10-14)8-6-15(12-20-16)18-11-13-4-2-1-3-5-13/h1-5,15H,6-12H2/t15-,16+/m1/s1
InChIKey CMZVEQNFNZVQPG-CVEARBPZSA-N
SMILES [C@]12(OCCC(C2)=O)OC[C@@](CC1)(OCC1=CC=CC=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910902