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3-(1-adamantylcarbonylamino)-3-(1,3-benzodioxol-5-yl)propanoic acid

View entire compound with spectra: 1 MS (GC)

3-(1-adamantylcarbonylamino)-3-(1,3-benzodioxol-5-yl)propanoic acid
SpectraBase Compound ID BHOPZSqADeT
InChI InChI=1S/C21H25NO5/c23-19(24)7-16(15-1-2-17-18(6-15)27-11-26-17)22-20(25)21-8-12-3-13(9-21)5-14(4-12)10-21/h1-2,6,12-14,16H,3-5,7-11H2,(H,22,25)(H,23,24)/t12-,13+,14-,16?,21-
InChIKey MTEFYRXGWHCCIX-UAOYOVOOSA-N
Mol Weight 371.43 g/mol
Molecular Formula C21H25NO5
Exact Mass 371.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GDQCk2d2NK
Name 3-(1-adamantylcarbonylamino)-3-(1,3-benzodioxol-5-yl)propanoic acid
Alternate Name(s) 3-(adamantane-1-carbonylamino)-3-(1,3-benzodioxol-5-yl)propanoic acid 3-(adamantane-1-carbonylamino)-3-(1,3-benzodioxol-5-yl)propionic acid 3-[[1-adamantyl(oxo)methyl]amino]-3-(1,3-benzodioxol-5-yl)propanoic acid Propionic acid, 3-[(adamantane-1-carbonyl)amino]-3-(benzo[1,3]dioxol-5-yl)-
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Formula C21H25NO5
InChI InChI=1S/C21H25NO5/c23-19(24)7-16(15-1-2-17-18(6-15)27-11-26-17)22-20(25)21-8-12-3-13(9-21)5-14(4-12)10-21/h1-2,6,12-14,16H,3-5,7-11H2,(H,22,25)(H,23,24)/t12-,13+,14-,16?,21-
InChIKey MTEFYRXGWHCCIX-UAOYOVOOSA-N
Molecular Weight 371.433 g/mol
SMILES N(C(=O)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(CC(O)=O)c1cc2c(cc1)OCO2
SPLASH splash10-0a4r-4941000000-b11430a3d1c03449fcb8
Wiley ID 1447665