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(2S,20E)-2-(benzoxymethyl)-1,4-dioxacyclohexatriacont-20-ene

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

(2S,20E)-2-(benzoxymethyl)-1,4-dioxacyclohexatriacont-20-ene
SpectraBase Compound ID EmT1eEa44kQ
InChI InChI=1S/C42H74O3/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-33-37-45-42(40-44-38-41-34-30-29-31-35-41)39-43-36-32-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-2,29-31,34-35,42H,3-28,32-33,36-40H2/b2-1+/t42-/m0/s1
InChIKey ZUAXEDPHSSPAGN-XZWQRATHSA-N
Mol Weight 627.1 g/mol
Molecular Formula C42H74O3
Exact Mass 626.563796 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6syITn1jo5E
Name (2S,20E)-2-(Benzoxymethyl)-1,4-dioxacyclohexatriacont-20-ene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 626.563796240 u
Formula C42H74O3
InChI InChI=1S/C42H74O3/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-33-37-45-42(40-44-38-41-34-30-29-31-35-41)39-43-36-32-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-2,29-31,34-35,42H,3-28,32-33,36-40H2/b2-1+/t42-/m0/s1
InChIKey ZUAXEDPHSSPAGN-XZWQRATHSA-N
Molecular Weight 627.051 g/mol
SMILES [C@]1(OCCCCCCCCCCCCCCC\C=C\CCCCCCCCCCCCCCCOC1)(COCC1=CC=CC=C1)[H]