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Methyl 5,6,8,10-tetramethyl-2-[(phenylsulfonyl)acetyl]heptalene-1-carboxylate
SpectraBase Compound ID 2QD7Y1n19iG
InChI InChI=1S/C26H26O5S/c1-16-13-18(3)23-17(2)11-12-21(25(26(28)31-5)24(23)19(4)14-16)22(27)15-32(29,30)20-9-7-6-8-10-20/h6-14H,15H2,1-5H3
InChIKey WYMFARLDHBIDAJ-UHFFFAOYSA-N
Mol Weight 450.55 g/mol
Molecular Formula C26H26O5S
Exact Mass 450.150095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GLeq3Iqs2D
Name Methyl 5,6,8,10-tetramethyl-2-[(phenylsulfonyl)acetyl]heptalene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26O5S
InChI InChI=1S/C26H26O5S/c1-16-13-18(3)23-17(2)11-12-21(25(26(28)31-5)24(23)19(4)14-16)22(27)15-32(29,30)20-9-7-6-8-10-20/h6-14H,15H2,1-5H3
InChIKey WYMFARLDHBIDAJ-UHFFFAOYSA-N
Molecular Weight 450.549 g/mol
SMILES C12=C(C(C(CS(=O)(=O)c3ccccc3)=O)=CC=C(C1=C(C=C(C=C2C)C)C)C)C(=O)OC
SPLASH splash10-0ue9-0741900000-48862e74b57f2c6a388d
Source of Spectrum H-82-382-4
Synonyms Methyl 5,6,8,10-tetramethyl-2-[(phenylsulfonyl)acetyl]-1-heptalenecarboxylate
Wiley ID 815337