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2,3-Di[(E)-2-methyl-2-butenoyloxy]propyl (Z)-9-hexadecenoate

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

2,3-Di[(E)-2-methyl-2-butenoyloxy]propyl (Z)-9-hexadecenoate
SpectraBase Compound ID 3Bq7VHa9z4I
InChI InChI=1S/C29H48O6/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-22-26(35-29(32)25(5)8-3)23-34-28(31)24(4)7-2/h7-8,13-14,26H,6,9-12,15-23H2,1-5H3/b14-13-,24-7+,25-8+
InChIKey HYTVKOYCZXWSDX-KLDWPVMQSA-N
Mol Weight 492.7 g/mol
Molecular Formula C29H48O6
Exact Mass 492.345089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LDPSfGLOy5C
Name 2,3-di[(E)-2-Methyl-2-butenoyloxy]propyl (Z)-9-hexadecenoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.345089260 u
Formula C29H48O6
InChI InChI=1S/C29H48O6/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-22-26(35-29(32)25(5)8-3)23-34-28(31)24(4)7-2/h7-8,13-14,26H,6,9-12,15-23H2,1-5H3/b14-13-,24-7+,25-8+
InChIKey HYTVKOYCZXWSDX-KLDWPVMQSA-N
Molecular Weight 492.697 g/mol
SMILES C(CCCCCCC\C=C/CCCCCC)(=O)OCC(COC(\C(=C\C)C)=O)OC(\C(=C\C)C)=O