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Marmesin - caprylate
SpectraBase Compound ID KBTLy0b7LX6
InChI InChI=1S/C22H28O5/c1-4-5-6-7-8-9-21(24)27-22(2,3)19-13-16-12-15-10-11-20(23)26-17(15)14-18(16)25-19/h10-12,14,19H,4-9,13H2,1-3H3
InChIKey BADIENIPRCEEJX-UHFFFAOYSA-N
Mol Weight 372.46 g/mol
Molecular Formula C22H28O5
Exact Mass 372.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EqnG5V3rvgf
Name Marmesin - caprylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O5
InChI InChI=1S/C22H28O5/c1-4-5-6-7-8-9-21(24)27-22(2,3)19-13-16-12-15-10-11-20(23)26-17(15)14-18(16)25-19/h10-12,14,19H,4-9,13H2,1-3H3
InChIKey BADIENIPRCEEJX-UHFFFAOYSA-N
Molecular Weight 372.461 g/mol
SMILES c12OC(Cc2cc2c(c1)OC(=O)C=C2)C(OC(=O)CCCCCCC)(C)C
SPLASH splash10-03fr-1090000000-856af0d34960a1d890f5
Source of Spectrum X4-12-587-0
Synonyms 7-[1'-Methyl-1'-(octanoyloxy)ethyl]-furo[2,3-7',8']benzopyran-2(2H)-one
Wiley ID 1585099