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

*Links on SpectraBase are not permalinks.
2,1-Benzisoxazole-5,7-dicarboxylic acid, 1,3-dihydro-3-oxo-1-(phenylmethyl)-, dimethyl ester
SpectraBase Compound ID HmEVLyfNtbq
InChI InChI=1S/C18H15NO6/c1-23-16(20)12-8-13(17(21)24-2)15-14(9-12)18(22)25-19(15)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKey YPIGDJUDKNCNOA-UHFFFAOYSA-N
Mol Weight 341.32 g/mol
Molecular Formula C18H15NO6
Exact Mass 341.089937 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 H8TreCDiyr8
Name 2,1-Benzisoxazole-5,7-dicarboxylic acid, 1,3-dihydro-3-oxo-1-(phenylmethyl)-, dimethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15NO6
InChI InChI=1S/C18H15NO6/c1-23-16(20)12-8-13(17(21)24-2)15-14(9-12)18(22)25-19(15)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKey YPIGDJUDKNCNOA-UHFFFAOYSA-N
Molecular Weight 341.319 g/mol
SMILES C(OC)(=O)c1cc(C(=O)OC)c2N(Cc3ccccc3)OC(=O)c2c1
SPLASH splash10-0006-9220000000-ae9876aa09ce948e8a33
Source of Spectrum JX-2015-3-844
Synonyms Dimethyl 1-benzyl-3-oxo-1,3-dihydrobenzo[c]isoxazole-5,7-dicarboxylate Dimethyl 1-benzyl-3-oxo-1,3-dihydro-2,1-benzoxazole-5,7-dicarboxylate 3-Oxo-1-(phenylmethyl)-2,1-benzoxazole-5,7-dicarboxylic acid dimethyl ester Dimethyl 1-benzyl-3-oxo-2,1-benzoxazole-5,7-dicarboxylate Dimethyl 3-oxidanylidene-1-(phenylmethyl)-2,1-benzoxazole-5,7-dicarboxylate
Wiley ID 1724374