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(Z)-1,3-Dimethoxypropan-2-yl docos-13-enoate

View entire compound with spectra: 1 NMR, and 1 FTIR

(Z)-1,3-Dimethoxypropan-2-yl docos-13-enoate
SpectraBase Compound ID 9w6KQuPSUYk
InChI InChI=1S/C27H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(28)31-26(24-29-2)25-30-3/h11-12,26H,4-10,13-25H2,1-3H3/b12-11-
InChIKey BYVHUGYWFIJQMS-QXMHVHEDSA-N
Mol Weight 440.7 g/mol
Molecular Formula C27H52O4
Exact Mass 440.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWKvFILNFSq
Name (Z)-1,3-Dimethoxypropan-2-yl docos-13-enoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.386560150 u
Formula C27H52O4
InChI InChI=1S/C27H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(28)31-26(24-29-2)25-30-3/h11-12,26H,4-10,13-25H2,1-3H3/b12-11-
InChIKey BYVHUGYWFIJQMS-QXMHVHEDSA-N
Molecular Weight 440.709 g/mol
SMILES C(CCCCCCCCCCC\C=C/CCCCCCCC)(=O)OC(COC)COC