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Hexadecanoic acid, 2-pentadecyl-1,3-dioxan-5-yl ester, trans-
SpectraBase Compound ID 9OU9l1YziVR
InChI InChI=1S/C35H68O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)39-33-31-37-35(38-32-33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,35H,3-32H2,1-2H3
InChIKey YJFCZZLQDBBXSP-UHFFFAOYSA-N
Mol Weight 552.9 g/mol
Molecular Formula C35H68O4
Exact Mass 552.511761 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98v9LqKfzCs
Name Hexadecanoic acid, 2-pentadecyl-1,3-dioxan-5-yl ester, trans-
Alternate Name(s) Hexadecanoic acid, 2-pentadecyl-1,3-dioxan-5-yl ester, cis- 2-Pentadecyl-1,3-dioxan-5-yl palmitate (2-pentadecyl-1,3-dioxan-5-yl) hexadecanoate Hexadecanoic acid (2-pentadecyl-1,3-dioxan-5-yl) ester palmitic acid (2-pentadecyl-1,3-dioxan-5-yl) ester
CAS Registry Number 41563-17-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H68O4
InChI InChI=1S/C35H68O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)39-33-31-37-35(38-32-33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,35H,3-32H2,1-2H3
InChIKey YJFCZZLQDBBXSP-UHFFFAOYSA-N
Molecular Weight 552.925 g/mol
SMILES C(OC1COC(OC1)CCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCC)=O
SPLASH splash10-0006-8239000000-0c37e72d15e68d81cfb6
Source of Spectrum EP-5190-0-0
Wiley ID 1406015