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

*Links on SpectraBase are not permalinks.
rac-trans(3,4-dihydro-9-hydroxy-5,10-dioxo-1-phenyl-1H-naphtho[2,3-c]pyran-3-yl)acetic acid
SpectraBase Compound ID CcFF0MePwiP
InChI InChI=1S/C21H16O6/c22-15-8-4-7-13-17(15)20(26)18-14(19(13)25)9-12(10-16(23)24)27-21(18)11-5-2-1-3-6-11/h1-8,12,21-22H,9-10H2,(H,23,24)/t12-,21+/m0/s1
InChIKey XTJJKZZLWPXJKU-LAJNKCICSA-N
Mol Weight 364.35 g/mol
Molecular Formula C21H16O6
Exact Mass 364.094688 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 IweQGaLzJ4L
Name rac-trans(3,4-dihydro-9-hydroxy-5,10-dioxo-1-phenyl-1H-naphtho[2,3-c]pyran-3-yl)acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16O6
InChI InChI=1S/C21H16O6/c22-15-8-4-7-13-17(15)20(26)18-14(19(13)25)9-12(10-16(23)24)27-21(18)11-5-2-1-3-6-11/h1-8,12,21-22H,9-10H2,(H,23,24)/t12-,21+/m0/s1
InChIKey XTJJKZZLWPXJKU-LAJNKCICSA-N
Molecular Weight 364.353 g/mol
SMILES Oc1c2c(C(C3=C([C@](O[C@](CC(=O)O)(C3)[H])(c3ccccc3)[H])C2=O)=O)ccc1
SPLASH splash10-0a4i-9712000000-0a265757d580f7ae5c34
Source of Spectrum SO-0-786-18
Synonyms 2-[(1R,3S)-9-hydroxy-5,10-dioxo-1-phenyl-3,4-dihydro-1H-benzo[g][2]benzopyran-3-yl]acetic acid 2-[(1R,3S)-9-hydroxy-5,10-dioxo-1-phenyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid 2-[(1R,3S)-9-oxidanyl-5,10-bis(oxidanylidene)-1-phenyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]ethanoic acid
Wiley ID 1545778