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Spiro[3,5-cyclohexadiene-1,6'-dibenzo[d,f][1,3]dioxepin]-2-one, 3',4,9'-tris(1,1-dimethylethyl)-2',5,10'-triethoxy-
SpectraBase Compound ID FBsHXPiZGqC
InChI InChI=1S/C36H48O6/c1-13-38-29-16-22-23-17-30(39-14-2)25(34(7,8)9)19-28(23)42-36(41-27(22)18-24(29)33(4,5)6)21-31(40-15-3)26(20-32(36)37)35(10,11)12/h16-21H,13-15H2,1-12H3
InChIKey NEKHIELRANDTSH-UHFFFAOYSA-N
Mol Weight 576.8 g/mol
Molecular Formula C36H48O6
Exact Mass 576.345089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34ypowonDRe
Name Spiro[3,5-cyclohexadiene-1,6'-dibenzo[d,f][1,3]dioxepin]-2-one, 3',4,9'-tris(1,1-dimethylethyl)-2',5,10'-triethoxy-
CAS Registry Number 67080-26-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H48O6
InChI InChI=1S/C36H48O6/c1-13-38-29-16-22-23-17-30(39-14-2)25(34(7,8)9)19-28(23)42-36(41-27(22)18-24(29)33(4,5)6)21-31(40-15-3)26(20-32(36)37)35(10,11)12/h16-21H,13-15H2,1-12H3
InChIKey NEKHIELRANDTSH-UHFFFAOYSA-N
Molecular Weight 576.774 g/mol
SMILES C12(C=C(OCC)C(=CC2=O)C(C)(C)C)Oc2c(cc(c(c2)C(C)(C)C)OCC)-c2c(O1)cc(c(OCC)c2)C(C)(C)C
SPLASH splash10-00or-0008090000-2e1b4323278f09105b96
Source of Spectrum B-31-1070-0
Synonyms 3',4,9'-tri-t-butyl-2',5,10'-triethoxyspiro(cyclohexa-3,5-diene-1,6'-dibenzo[d,f][1,3]-dioxepin)-2-one 4,5',13'-tri-tert-butyl-3,4',14'-triethoxy-8',10'-dioxaspiro[cyclohexane-1,9'-tricyclo[9.4.0.0(2,7)]pentadecan]-1'(15'),2,2',4,4',6',11',13'-octaen-6-one
Wiley ID 1408256