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2-(Octadecanoyloxymethyl)-12-crown-4
SpectraBase Compound ID 3tKcHVmHGZt
InChI InChI=1S/C27H52O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(28)33-25-26-24-31-21-20-29-18-19-30-22-23-32-26/h26H,2-25H2,1H3
InChIKey DYNYZTCEZZXDLP-UHFFFAOYSA-N
Mol Weight 472.7 g/mol
Molecular Formula C27H52O6
Exact Mass 472.376389 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELXgz4KukFz
Name 2-(Octadecanoyloxymethyl)-12-crown-4
CAS Registry Number 92144-73-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H52O6
InChI InChI=1S/C27H52O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(28)33-25-26-24-31-21-20-29-18-19-30-22-23-32-26/h26H,2-25H2,1H3
InChIKey DYNYZTCEZZXDLP-UHFFFAOYSA-N
Molecular Weight 472.707 g/mol
SMILES C(=O)(OCC1OCCOCCOCCOC1)CCCCCCCCCCCCCCCCC
SPLASH splash10-0002-9000000000-b1adcf30431a92d152d0
Source of Spectrum C-106-6982-0
Synonyms 1,4,7,10-tetraoxacyclododecan-2-ylmethyl stearate 2-(octadecanoyloxymethyl)-1,4,7,10-tetraoxacyclododecane
Wiley ID 1393414