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Tri-O-thymotide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Tri-O-thymotide
SpectraBase Compound ID 54H2UvXQiBw
InChI InChI=1S/C33H36O6/c1-16(2)22-13-10-19(7)25-28(22)37-32(35)26-20(8)11-14-23(17(3)4)29(26)39-33(36)27-21(9)12-15-24(18(5)6)30(27)38-31(25)34/h10-18H,1-9H3
InChIKey ZIKHLMVJGCYVAC-UHFFFAOYSA-N
Mol Weight 528.6 g/mol
Molecular Formula C33H36O6
Exact Mass 528.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ir7UDxfZxCL
Name Tri-O-thymotide
CAS Registry Number 4399-52-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H36O6
InChI InChI=1S/C33H36O6/c1-16(2)22-13-10-19(7)25-28(22)37-32(35)26-20(8)11-14-23(17(3)4)29(26)39-33(36)27-21(9)12-15-24(18(5)6)30(27)38-31(25)34/h10-18H,1-9H3
InChIKey ZIKHLMVJGCYVAC-UHFFFAOYSA-N
Molecular Weight 528.645 g/mol
SMILES C1(c2c(OC(c3c(ccc(c3OC(c3c(O1)c(ccc3C)C(C)C)=O)C(C)C)C)=O)c(C(C)C)ccc2C)=O
SPLASH splash10-0f92-0903010000-e82b3e863ab2d734095e
Source of Spectrum W5-38114-27422-27422
Wiley ID 1403120