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

*Links on SpectraBase are not permalinks.
1,2,3-Trihydro-4-(18)oxo-6-hydroxy-7-methoxy-2-naphthoic acid .gamma. lactone
SpectraBase Compound ID Cf2T6lLRyQg
InChI InChI=1S/C13H12O5/c1-17-11-3-6-2-8-9(5-18-13(8)16)12(15)7(6)4-10(11)14/h3-4,8-9,14H,2,5H2,1H3/i15+2
InChIKey JDJNVZKKHSLUTP-HRBFZRADSA-N
Mol Weight 250.23 g/mol
Molecular Formula C13H12O418O
Exact Mass 250.072718 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 GXTkLNj0QD4
Name 1,2,3-Trihydro-4-(18)oxo-6-hydroxy-7-methoxy-2-naphthoic acid .gamma. lactone
CAS Registry Number 56114-41-1
Comments Original formula: C13H12O4[18O]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O5
InChI InChI=1S/C13H12O5/c1-17-11-3-6-2-8-9(5-18-13(8)16)12(15)7(6)4-10(11)14/h3-4,8-9,14H,2,5H2,1H3/i15+2
InChIKey JDJNVZKKHSLUTP-HRBFZRADSA-N
Molecular Weight 250.234 g/mol
SMILES Oc1cc2C(C3C(C(=O)OC3)Cc2cc1OC)=[18O]
SPLASH splash10-0zg1-7950000000-59288e619db796cd7738
Source of Spectrum D-9-735-1
Wiley ID 1250884