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4,7-Methano-1H-isoindole-8-acetic acid, 2,3,3a,4,7,7a-hexahydro-1,3-dioxo-, 3-butenyl ester, stereoisomer
SpectraBase Compound ID FdcqAJ4guV8
InChI InChI=1S/C15H17NO4/c1-2-3-6-20-11(17)7-10-8-4-5-9(10)13-12(8)14(18)16-15(13)19/h2,4-5,8-10,12-13H,1,3,6-7H2,(H,16,18,19)/t8-,9+,10+,12?,13?
InChIKey ISJREHBHZAUUFT-MHGJXZDRSA-N
Mol Weight 275.3 g/mol
Molecular Formula C15H17NO4
Exact Mass 275.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BDVIr1xJ8N
Name 4,7-Methano-1H-isoindole-8-acetic acid, 2,3,3a,4,7,7a-hexahydro-1,3-dioxo-, 3-butenyl ester, stereoisomer
Alternate Name(s) (3''-butenyl)ester of endo-3',5'-dioxo-4'-azatricyclo[5.2.1.0(2,6)]dec-8'-en-10'-yl-carboxylic acid (3''-Butenyl)ester of endo-3',5'-Dioxo-4'-azatricyclo[5.2.1.0(2,6)]dec-8'-en-10'-yl-carboxylic acid 3-Butenyl (3,5-dioxo-4-azatricyclo[5.2.1.0(2,6)]dec-8-en-10-yl)acetate
CAS Registry Number 88490-93-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO4
InChI InChI=1S/C15H17NO4/c1-2-3-6-20-11(17)7-10-8-4-5-9(10)13-12(8)14(18)16-15(13)19/h2,4-5,8-10,12-13H,1,3,6-7H2,(H,16,18,19)/t8-,9+,10+,12?,13?
InChIKey ISJREHBHZAUUFT-MHGJXZDRSA-N
Molecular Weight 275.304 g/mol
SMILES N1C(C2C(C1=O)[C@@]1([C@]([C@]2(C=C1)[H])(CC(=O)OCCC=C)[H])[H])=O
SPLASH splash10-0fb9-4790000000-177e6599f58063dbc4d9
Source of Spectrum H-66-1886-0
Wiley ID 1279054