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(4'-p-Methylanilino-1'-p-methylphenyl-2',5'-dioxo-1',2',3',5',6',6'a-hexahydrocyclopenta[b]pyrro-3'-yl)acetic Acid
SpectraBase Compound ID LQP7FbeYYnU
InChI InChI=1S/C23H22N2O4/c1-13-3-7-15(8-4-13)24-22-19(26)12-18-21(22)17(11-20(27)28)23(29)25(18)16-9-5-14(2)6-10-16/h3-10,17-18,24H,11-12H2,1-2H3,(H,27,28)
InChIKey HCBXFIDDXPMYRY-UHFFFAOYSA-N
Mol Weight 390.44 g/mol
Molecular Formula C23H22N2O4
Exact Mass 390.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ofSarmXAbe
Name (4'-p-Methylanilino-1'-p-methylphenyl-2',5'-dioxo-1',2',3',5',6',6'a-hexahydrocyclopenta[b]pyrro-3'-yl)acetic Acid
Alternate Name(s) [1-(4-methylphenyl)-2,5-dioxo-4-(4-toluidino)-1,2,3,5,6,6a-hexahydrocyclopenta[b]pyrrol-3-yl]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N2O4
InChI InChI=1S/C23H22N2O4/c1-13-3-7-15(8-4-13)24-22-19(26)12-18-21(22)17(11-20(27)28)23(29)25(18)16-9-5-14(2)6-10-16/h3-10,17-18,24H,11-12H2,1-2H3,(H,27,28)
InChIKey HCBXFIDDXPMYRY-UHFFFAOYSA-N
Molecular Weight 390.439 g/mol
SMILES OC(CC1C(N(C2C1=C(C(C2)=O)Nc1ccc(cc1)C)c1ccc(cc1)C)=O)=O
SPLASH splash10-0007-0659000000-056a1b46b1a61aa6a367
Source of Spectrum B-44-1536-3
Wiley ID 1364936