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2H-Pyrrolo[3,4-d]isoxazole-2-propanoic acid, hexahydro-3,3-dimethyl-4,6-dioxo-5-phenyl-, methyl ester, cis-
SpectraBase Compound ID 5uNukWaRvwB
InChI InChI=1S/C17H20N2O5/c1-17(2)13-14(24-18(17)10-9-12(20)23-3)16(22)19(15(13)21)11-7-5-4-6-8-11/h4-8,13-14H,9-10H2,1-3H3/t13-,14+/m0/s1
InChIKey MYZVIYZBHWJFKS-UONOGXRCSA-N
Mol Weight 332.36 g/mol
Molecular Formula C17H20N2O5
Exact Mass 332.137222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJJ7WlvneyV
Name 2H-Pyrrolo[3,4-d]isoxazole-2-propanoic acid, hexahydro-3,3-dimethyl-4,6-dioxo-5-phenyl-, methyl ester, cis-
CAS Registry Number 89903-32-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N2O5
InChI InChI=1S/C17H20N2O5/c1-17(2)13-14(24-18(17)10-9-12(20)23-3)16(22)19(15(13)21)11-7-5-4-6-8-11/h4-8,13-14H,9-10H2,1-3H3/t13-,14+/m0/s1
InChIKey MYZVIYZBHWJFKS-UONOGXRCSA-N
Molecular Weight 332.356 g/mol
SMILES [C@@]12([C@@](C(=O)N(C2=O)c2ccccc2)(C(C)(C)N(O1)CCC(=O)OC)[H])[H]
SPLASH splash10-014i-0329000000-9733b26d31724c7816ec
Source of Spectrum KC-1984-55-0
Synonyms 1:1:1 adduct of N-phenylmaleimide, acetone oxime and methyl acrylate Methyl 3-[(3aS,6aR)-3,3-dimethyl-4,6-dioxo-5-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-2-yl]propanoate
Wiley ID 1329274