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Methyl [(2R,5R,6S)-5-benzyloxy-5-ethyl-6-methyltetrahydropyran]-2-carboxylate

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

Methyl [(2R,5R,6S)-5-benzyloxy-5-ethyl-6-methyltetrahydropyran]-2-carboxylate
SpectraBase Compound ID Dm35vuFBanZ
InChI InChI=1S/C17H24O4/c1-4-17(20-12-14-8-6-5-7-9-14)11-10-15(16(18)19-3)21-13(17)2/h5-9,13,15H,4,10-12H2,1-3H3/t13-,15+,17+/m0/s1
InChIKey PQASKCLPCIISLB-YSVLISHTSA-N
Mol Weight 292.38 g/mol
Molecular Formula C17H24O4
Exact Mass 292.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 15NfvhI6H2P
Name Methyl [(2R,5R,6S)-5-benzyloxy-5-ethyl-6-methyltetrahydropyran]-2-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.167459249 u
Formula C17H24O4
InChI InChI=1S/C17H24O4/c1-4-17(20-12-14-8-6-5-7-9-14)11-10-15(16(18)19-3)21-13(17)2/h5-9,13,15H,4,10-12H2,1-3H3/t13-,15+,17+/m0/s1
InChIKey PQASKCLPCIISLB-YSVLISHTSA-N
SMILES [C@@]1(O[C@]([C@@](CC1)(OCC1=CC=CC=C1)CC)(C)[H])(C(=O)OC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.800664