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2-(Octadecyloxymethyl)-12-crown-4
SpectraBase Compound ID 3MvS89ITvgS
InChI InChI=1S/C27H54O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-25-27-26-31-22-21-28-19-20-29-23-24-32-27/h27H,2-26H2,1H3
InChIKey DHWGLSYFXWVNIS-UHFFFAOYSA-N
Mol Weight 458.7 g/mol
Molecular Formula C27H54O5
Exact Mass 458.397125 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KQiSa4bXkS
Name 2-(Octadecyloxymethyl)-12-crown-4
Alternate Name(s) 2-[(octadecyloxy)methyl]-1,4,7,10-tetraoxacyclododecane octadecyl 1,4,7,10-tetraoxacyclododecan-2-ylmethyl ether
CAS Registry Number 92144-72-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H54O5
InChI InChI=1S/C27H54O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-25-27-26-31-22-21-28-19-20-29-23-24-32-27/h27H,2-26H2,1H3
InChIKey DHWGLSYFXWVNIS-UHFFFAOYSA-N
Molecular Weight 458.724 g/mol
SMILES C1(OCCOCCOCCOC1)COCCCCCCCCCCCCCCCCCC
SPLASH splash10-004i-0900000000-e1a131ca616ec07bc59f
Source of Spectrum C-106-6982-0
Wiley ID 1389934