For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Marmesin - valerrate
SpectraBase Compound ID G9TjoUqCDXu
InChI InChI=1S/C19H22O5/c1-4-5-6-18(21)24-19(2,3)16-10-13-9-12-7-8-17(20)23-14(12)11-15(13)22-16/h7-9,11,16H,4-6,10H2,1-3H3
InChIKey QCFAQMYZPMHKBN-UHFFFAOYSA-N
Mol Weight 330.38 g/mol
Molecular Formula C19H22O5
Exact Mass 330.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID B2EAS9t3Tt2
Name Marmesin - valerrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O5
InChI InChI=1S/C19H22O5/c1-4-5-6-18(21)24-19(2,3)16-10-13-9-12-7-8-17(20)23-14(12)11-15(13)22-16/h7-9,11,16H,4-6,10H2,1-3H3
InChIKey QCFAQMYZPMHKBN-UHFFFAOYSA-N
Molecular Weight 330.380 g/mol
SMILES c12OC(Cc2cc2c(c1)OC(=O)C=C2)C(OC(=O)CCCC)(C)C
SPLASH splash10-03di-2291000000-fe3bd98ab89e3c4ac57b
Source of Spectrum X4-12-587-0
Synonyms 7-[1'-Methyl-1'-(valeroyloxy)ethyl]-furo[2,3-7',8']benzopyran-2(2H)-one
Wiley ID 1585103