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Tetracyclo[25.3.1.17,11.117,21]tritriaconta-1(31),7,9,11(33),17,19,21(32),27,29-nonaene, 31,32,33-trimethoxy-
SpectraBase Compound ID InssYa2r1Xg
InChI InChI=1S/C36H48O3/c1-37-34-28-16-7-4-9-18-30-24-14-26-32(35(30)38-2)20-11-6-12-21-33-27-15-25-31(36(33)39-3)19-10-5-8-17-29(34)23-13-22-28/h13-15,22-27H,4-12,16-21H2,1-3H3
InChIKey WNBCNLCQGWKCAJ-UHFFFAOYSA-N
Mol Weight 528.8 g/mol
Molecular Formula C36H48O3
Exact Mass 528.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FdWBD6Opj3r
Name Tetracyclo[25.3.1.17,11.117,21]tritriaconta-1(31),7,9,11(33),17,19,21(32),27,29-nonaene, 31,32,33-trimethoxy-
Alternate Name(s) 31,32,33-trimethoxytetracyclo[25.3.1.1(7,11).1(17,21)]tritriaconta-1(31),7(33),8,10,17(32),18,20,27,29-nonaene [5.5.5]metacyclophane
CAS Registry Number 132408-46-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H48O3
InChI InChI=1S/C36H48O3/c1-37-34-28-16-7-4-9-18-30-24-14-26-32(35(30)38-2)20-11-6-12-21-33-27-15-25-31(36(33)39-3)19-10-5-8-17-29(34)23-13-22-28/h13-15,22-27H,4-12,16-21H2,1-3H3
InChIKey WNBCNLCQGWKCAJ-UHFFFAOYSA-N
Molecular Weight 528.777 g/mol
SMILES c1(c2cccc1CCCCCc1c(c(CCCCCc3c(c(CCCCC2)ccc3)OC)ccc1)OC)OC
SPLASH splash10-004i-0800090000-a062900e3cee9c100d89
Source of Spectrum J-56-1699-4
Wiley ID 1403163