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2-((4R,7S)-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindol-2(3H)-yl)acetic acid
SpectraBase Compound ID 64dI07ZfBXk
InChI InChI=1S/C12H13NO4/c14-8(15)5-13-11(16)9-6-1-2-7(4-3-6)10(9)12(13)17/h1-2,6-7,9-10H,3-5H2,(H,14,15)/t6-,7+,9?,10?
InChIKey XQUNMJVQLBEHIK-SLCQTASHSA-N
Mol Weight 235.24 g/mol
Molecular Formula C12H13NO4
Exact Mass 235.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kM4ev5HSOG
Name (3,5-Dioxo-4-azatricyclo[5.2.2.0(2,6)]undec-8-en-4-yl)acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO4
InChI InChI=1S/C12H13NO4/c14-8(15)5-13-11(16)9-6-1-2-7(4-3-6)10(9)12(13)17/h1-2,6-7,9-10H,3-5H2,(H,14,15)/t6-,7+,9?,10?
InChIKey XQUNMJVQLBEHIK-SLCQTASHSA-N
Molecular Weight 235.239 g/mol
SMILES OC(CN1C(C2[C@@]3(C=C[C@](C2C1=O)(CC3)[H])[H])=O)=O
SPLASH splash10-0059-9200000000-c6c9aaac9d840cc73b9c
Wiley ID 1439194