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1,3-Dioxolane, 2,2-dimethyl-4-[[[2-(phenylmethoxy)-4-hexadecynyl]oxy]methyl]-
SpectraBase Compound ID KUAtuNCo9vQ
InChI InChI=1S/C29H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-27(31-22-26-19-16-15-17-20-26)23-30-24-28-25-32-29(2,3)33-28/h15-17,19-20,27-28H,4-13,21-25H2,1-3H3
InChIKey IOJNNJRMUFUIOP-UHFFFAOYSA-N
Mol Weight 458.7 g/mol
Molecular Formula C29H46O4
Exact Mass 458.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hlILAn033o
Name 1,3-Dioxolane, 2,2-dimethyl-4-[[[2-(phenylmethoxy)-4-hexadecynyl]oxy]methyl]-
Alternate Name(s) 4-({[2-(benzyloxy)-4-hexadecynyl]oxy}methyl)-2,2-dimethyl-1,3-dioxolane 4-(2-benzyloxyhexadec-4-ynoxymethyl)-2,2-dimethyl-1,3-dioxolane 2,2-Dimethyl-4-(2-phenylmethoxyhexadec-4-ynoxymethyl)-1,3-dioxolane
CAS Registry Number 54897-83-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O4
InChI InChI=1S/C29H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-27(31-22-26-19-16-15-17-20-26)23-30-24-28-25-32-29(2,3)33-28/h15-17,19-20,27-28H,4-13,21-25H2,1-3H3
InChIKey IOJNNJRMUFUIOP-UHFFFAOYSA-N
Molecular Weight 458.683 g/mol
SMILES C1(OC(COCC(OCc2ccccc2)CC#CCCCCCCCCCCC)CO1)(C)C
SPLASH splash10-0006-9310000000-cc84a822199ed11b2d54
Source of Spectrum W5-0-0-0
Wiley ID 1390004