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Marmesin - enanthoate
SpectraBase Compound ID 5cX6ildVmBT
InChI InChI=1S/C21H26O5/c1-4-5-6-7-8-20(23)26-21(2,3)18-12-15-11-14-9-10-19(22)25-16(14)13-17(15)24-18/h9-11,13,18H,4-8,12H2,1-3H3
InChIKey IRABZTSKHZFHIE-UHFFFAOYSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cQkWvj17Vi
Name Marmesin - enanthoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-4-5-6-7-8-20(23)26-21(2,3)18-12-15-11-14-9-10-19(22)25-16(14)13-17(15)24-18/h9-11,13,18H,4-8,12H2,1-3H3
InChIKey IRABZTSKHZFHIE-UHFFFAOYSA-N
Molecular Weight 358.434 g/mol
SMILES c12OC(Cc2cc2c(c1)OC(=O)C=C2)C(OC(=O)CCCCCC)(C)C
SPLASH splash10-03fr-0291000000-1b3d2bd77e7bcc0836c6
Source of Spectrum X4-12-587-0
Synonyms 7-[1'-Methyl-1'-(heptanoyloxy)ethyl]-furo[2,3-7',8']benzopyran-2(2H)-one
Wiley ID 1585100