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31,32,33,34,35,36-Hexaoxaheptacyclo[26.2.1.1(3,6).1(8,11).1(13,16).1(18,21).1(23,26)]hexatriacontane, 2,2,7,7,12,12,17,17,22,22,27,27-dodecamethyl-
SpectraBase Compound ID KZzzITZTZ0R
InChI InChI=1S/C42H72O6/c1-37(2)25-13-15-27(43-25)38(3,4)29-17-19-31(45-29)40(7,8)33-21-23-35(47-33)42(11,12)36-24-22-34(48-36)41(9,10)32-20-18-30(46-32)39(5,6)28-16-14-26(37)44-28/h25-36H,13-24H2,1-12H3
InChIKey LDJWRVJTYCIFDP-UHFFFAOYSA-N
Mol Weight 673.0 g/mol
Molecular Formula C42H72O6
Exact Mass 672.53289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33n9Q21dTag
Name 31,32,33,34,35,36-Hexaoxaheptacyclo[26.2.1.1(3,6).1(8,11).1(13,16).1(18,21).1(23,26)]hexatriacontane, 2,2,7,7,12,12,17,17,22,22,27,27-dodecamethyl-
CAS Registry Number 61093-55-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H72O6
InChI InChI=1S/C42H72O6/c1-37(2)25-13-15-27(43-25)38(3,4)29-17-19-31(45-29)40(7,8)33-21-23-35(47-33)42(11,12)36-24-22-34(48-36)41(9,10)32-20-18-30(46-32)39(5,6)28-16-14-26(37)44-28/h25-36H,13-24H2,1-12H3
InChIKey LDJWRVJTYCIFDP-UHFFFAOYSA-N
Molecular Weight 673.032 g/mol
SMILES C1(C2OC(C(C3OC(C(C4OC(CC4)C(C4OC(C(C5OC(C(C6OC1CC6)(C)C)CC5)(C)C)CC4)(C)C)(C)C)CC3)(C)C)CC2)(C)C
SPLASH splash10-00di-0000309000-5e67eb4b5e63dba657d3
Source of Spectrum C-98-7419-0
Synonyms 2,2,7,7,12,12,17,17,22,22,27,27-dodecamethyl-31,32,33,34,35,36-hexaoxaheptacyclo[26.2.1.1(3,6).1(8,11).1(13,16).1(18,21).1(23,26)]hexatriacontane 5,5,10,10,15,15,20,20,25,25,30,30-Dodecamethyl-1,4,6,9,11,14,16,19,21,24,26,29-hexaoxocyclotriacontane
Wiley ID 1414026