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28-Hydroxy-5-iodo-25,26,27-tris[O-propyl]calix[4]arene

View entire compound with spectra: 1 MS (GC)

28-Hydroxy-5-iodo-25,26,27-tris[O-propyl]calix[4]arene
SpectraBase Compound ID DvBXFwk6sOU
InChI InChI=1S/C37H41IO4/c1-4-16-40-35-25-10-7-11-26(35)20-28-13-9-15-30(37(28)42-18-6-3)22-32-24-33(38)23-31(34(32)39)21-29-14-8-12-27(19-25)36(29)41-17-5-2/h7-15,23-24,39H,4-6,16-22H2,1-3H3
InChIKey RPKLAOATMHGULI-UHFFFAOYSA-N
Mol Weight 676.6 g/mol
Molecular Formula C37H41IO4
Exact Mass 676.204955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Li2m0YRC7Fd
Name 28-Hydroxy-5-iodo-25,26,27-tris[O-propyl]calix[4]arene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H41IO4
InChI InChI=1S/C37H41IO4/c1-4-16-40-35-25-10-7-11-26(35)20-28-13-9-15-30(37(28)42-18-6-3)22-32-24-33(38)23-31(34(32)39)21-29-14-8-12-27(19-25)36(29)41-17-5-2/h7-15,23-24,39H,4-6,16-22H2,1-3H3
InChIKey RPKLAOATMHGULI-UHFFFAOYSA-N
Molecular Weight 676.635 g/mol
SMILES Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc1cc(c2)I)ccc5)OCCC)ccc4)OCCC)ccc3)OCCC
SPLASH splash10-0a4i-9000014000-d193b41ed21ee6124bc4
Source of Spectrum SK-28-3940-8
Wiley ID 880104