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(E)-4-[1-adamantylmethyl-[1-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]amino]-4-oxidanylidene-but-2-enoic acid
SpectraBase Compound ID J0ZOewolIH6
InChI InChI=1S/C25H27ClN2O5/c26-18-2-1-3-19(9-18)28-22(30)10-20(24(28)33)27(21(29)4-5-23(31)32)14-25-11-15-6-16(12-25)8-17(7-15)13-25/h1-5,9,15-17,20H,6-8,10-14H2,(H,31,32)/b5-4+/t15-,16+,17-,20?,25-
InChIKey XYQVVBNCEUNHOJ-MPTVQIFDSA-N
Mol Weight 470.95 g/mol
Molecular Formula C25H27ClN2O5
Exact Mass 470.16085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3x2BfTOoy0
Name (E)-4-[1-adamantylmethyl-[1-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]amino]-4-oxidanylidene-but-2-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27ClN2O5
InChI InChI=1S/C25H27ClN2O5/c26-18-2-1-3-19(9-18)28-22(30)10-20(24(28)33)27(21(29)4-5-23(31)32)14-25-11-15-6-16(12-25)8-17(7-15)13-25/h1-5,9,15-17,20H,6-8,10-14H2,(H,31,32)/b5-4+/t15-,16+,17-,20?,25-
InChIKey XYQVVBNCEUNHOJ-MPTVQIFDSA-N
Molecular Weight 470.953 g/mol
SMILES OC(\C=C\C(N(C1C(N(C(C1)=O)c1cc(Cl)ccc1)=O)CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O)=O
SPLASH splash10-03dr-3900000000-ad5f2c4dfa68a9377f62
Synonyms (E)-4-[1-adamantylmethyl-[1-(3-chlorophenyl)-2,5-diketo-pyrrolidin-3-yl]amino]-4-keto-but-2-enoic acid (E)-4-[1-adamantylmethyl-[1-(3-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]amino]-4-oxo-2-butenoic acid (E)-4-[1-adamantylmethyl-[1-(3-chlorophenyl)-2,5-dioxo-pyrrolidin-3-yl]amino]-4-oxo-but-2-enoic acid
Wiley ID 1464303