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3-[(9-Fluoromethoxycarbonyl)amino]bicyclo[1.1.1]pentane-1-carboxyloic acid
SpectraBase Compound ID 5nmUW5xGPN6
InChI InChI=1S/C21H19NO4/c23-18(24)20-10-21(11-20,12-20)22-19(25)26-9-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H,22,25)(H,23,24)
InChIKey XMTSSOBUBCTQKW-UHFFFAOYSA-N
Mol Weight 349.39 g/mol
Molecular Formula C21H19NO4
Exact Mass 349.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fjq5ZEI6hK
Name 3-[(9-Fluoromethoxycarbonyl)amino]bicyclo[1.1.1]pentane-1-carboxyloic acid
Alternate Name(s) 3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-bicyclo[1.1.1]pentanecarboxylic acid
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Formula C21H19NO4
InChI InChI=1S/C21H19NO4/c23-18(24)20-10-21(11-20,12-20)22-19(25)26-9-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H,22,25)(H,23,24)
InChIKey XMTSSOBUBCTQKW-UHFFFAOYSA-N
Molecular Weight 349.386 g/mol
SMILES OC(C12CC(C2)(C1)NC(OCC1c2c(cccc2)-c2c1cccc2)=O)=O
SPLASH splash10-004i-0900000000-67eb4f3ff8f37b7f2837
Source of Spectrum K1-2004-496-10
Wiley ID 1560206