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ISOPHTHALIC ACID, DI-(-)-MENTHYL ESTER
SpectraBase Compound ID ApwYE2QSaXd
InChI InChI=1S/C22H30O4.2C3H8/c1-15-6-3-10-19(12-15)25-21(23)17-8-5-9-18(14-17)22(24)26-20-11-4-7-16(2)13-20;2*1-3-2/h5,8-9,14-16,19-20H,3-4,6-7,10-13H2,1-2H3;2*3H2,1-2H3
InChIKey NXGBCSXTGRPBJG-UHFFFAOYSA-N
Mol Weight 446.67 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ACxQ7UwaFiY
Name ISOPHTHALIC ACID, DI-(-)-MENTHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H42O4
InChI InChI=1S/C22H30O4.2C3H8/c1-15-6-3-10-19(12-15)25-21(23)17-8-5-9-18(14-17)22(24)26-20-11-4-7-16(2)13-20;2*1-3-2/h5,8-9,14-16,19-20H,3-4,6-7,10-13H2,1-2H3;2*3H2,1-2H3
InChIKey NXGBCSXTGRPBJG-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 446.3384
SMILES C(C)C.c1ccc(C(OC2CC(C)CCC2)=O)cc1C(OC1CC(C)CCC1)=O.CCC
SPLASH splash10-001a-8900000000-0713d0a64cf9a3db93d0
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany