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(4-Octadecanoylbenzo)-13-crown-4

View entire compound with spectra: 1 MS (GC)

(4-Octadecanoylbenzo)-13-crown-4
SpectraBase Compound ID 9xzP18yPCfl
InChI InChI=1S/C31H52O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28(32)29-22-23-34-30-20-17-18-21-31(30)36-27-25-33-24-26-35-29/h17-18,20-21,29H,2-16,19,22-27H2,1H3
InChIKey YPRCFOPNROBWQT-UHFFFAOYSA-N
Mol Weight 504.8 g/mol
Molecular Formula C31H52O5
Exact Mass 504.381475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nQUE2YYpD4
Name (4-Octadecanoylbenzo)-13-crown-4
Alternate Name(s) (4-octadecanoyl-2,3-benzo)-1,4,7,11-tetraoxacyclotridecane-2-ene 1-(2,3,5,6,9,10-hexahydro-8H-1,4,7,11-benzotetraoxacyclotridecin-8-yl)-1-octadecanone
CAS Registry Number 92144-74-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52O5
InChI InChI=1S/C31H52O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28(32)29-22-23-34-30-20-17-18-21-31(30)36-27-25-33-24-26-35-29/h17-18,20-21,29H,2-16,19,22-27H2,1H3
InChIKey YPRCFOPNROBWQT-UHFFFAOYSA-N
Molecular Weight 504.752 g/mol
SMILES C(C1OCCOCCOc2c(OCC1)cccc2)(=O)CCCCCCCCCCCCCCCCC
SPLASH splash10-0f89-0070090000-c753568842a88005c213
Source of Spectrum C-106-6982-0
Wiley ID 1399636