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1,2-Heptalenedicarboxylic acid, 5,6,8,10-tetramethyl-, 1-(phenylmethyl) ester, (.+-.)-
SpectraBase Compound ID 2GyH8nyceqs
InChI InChI=1S/C25H24O4/c1-15-12-17(3)21-16(2)10-11-20(24(26)27)23(22(21)18(4)13-15)25(28)29-14-19-8-6-5-7-9-19/h5-13H,14H2,1-4H3,(H,26,27)
InChIKey SJPIWIMCJOYNOH-UHFFFAOYSA-N
Mol Weight 388.46 g/mol
Molecular Formula C25H24O4
Exact Mass 388.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BEIjgbQ6Gt3
Name 1,2-Heptalenedicarboxylic acid, 5,6,8,10-tetramethyl-, 1-(phenylmethyl) ester, (.+-.)-
CAS Registry Number 115401-13-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24O4
InChI InChI=1S/C25H24O4/c1-15-12-17(3)21-16(2)10-11-20(24(26)27)23(22(21)18(4)13-15)25(28)29-14-19-8-6-5-7-9-19/h5-13H,14H2,1-4H3,(H,26,27)
InChIKey SJPIWIMCJOYNOH-UHFFFAOYSA-N
Molecular Weight 388.463 g/mol
SMILES OC(C=1C(=C2C(=C(C=C(C=C2C)C)C)C(=CC1)C)C(OCc1ccccc1)=O)=O
SPLASH splash10-001j-0090000000-a441e66fe6e4c0a8edf6
Source of Spectrum H-70-1455-11
Synonyms 1-Benzyloxy-5,6,8,10-tetramethylheptalene-2-carboxylic acid 1-[(benzyloxy)carbonyl]-5,6,8,10-tetramethyl-2-heptalenecarboxylic acid
Wiley ID 1364079