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[(2R)-1,4-dioxacyclohexatriacont-2-yl]methanol

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

[(2R)-1,4-dioxacyclohexatriacont-2-yl]methanol
SpectraBase Compound ID Kunsh720NbX
InChI InChI=1S/C35H70O3/c36-33-35-34-37-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38-35/h35-36H,1-34H2/t35-/m1/s1
InChIKey SJWJFEHSYKXYRX-PGUFJCEWSA-N
Mol Weight 538.9 g/mol
Molecular Formula C35H70O3
Exact Mass 538.532496 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5HpGA589yZ5
Name [(2R)-1,4-Dioxacyclohexatriacont-2-yl]methanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 538.532496111 u
Formula C35H70O3
InChI InChI=1S/C35H70O3/c36-33-35-34-37-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38-35/h35-36H,1-34H2/t35-/m1/s1
InChIKey SJWJFEHSYKXYRX-PGUFJCEWSA-N
Molecular Weight 538.942 g/mol
SMILES [C@]1(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC1)(CO)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862181