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[4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl]acetic acid

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[4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl]acetic acid
SpectraBase Compound ID 8DWnzpeMu4D
InChI InChI=1S/C17H17NO4/c19-13(20)7-9-1-5-12(6-2-9)18-16(21)14-10-3-4-11(8-10)15(14)17(18)22/h1-2,5-6,10-11,14-15H,3-4,7-8H2,(H,19,20)/t10-,11+,14?,15?
InChIKey YXCSCYFTUQFQGM-MPLXBHQASA-N
Mol Weight 299.33 g/mol
Molecular Formula C17H17NO4
Exact Mass 299.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ln4tyDeozOG
Name [4-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl]acetic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.115758027 u
Formula C17H17NO4
InChI InChI=1S/C17H17NO4/c19-13(20)7-9-1-5-12(6-2-9)18-16(21)14-10-3-4-11(8-10)15(14)17(18)22/h1-2,5-6,10-11,14-15H,3-4,7-8H2,(H,19,20)/t10-,11+,14?,15?
InChIKey YXCSCYFTUQFQGM-MPLXBHQASA-N
SMILES OC(CC1=CC=C(N2C(C3[C@]4(CC[C@@](C3C2=O)(C4)[H])[H])=O)C=C1)=O