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2-Valeryl-9-(tert-butoxycarbonyl)-9-azabicyclo[4.2.1]nonane
SpectraBase Compound ID 3EVpM38P6oL
InChI InChI=1S/C18H31NO3/c1-5-6-10-16(20)14-9-7-8-13-11-12-15(14)19(13)17(21)22-18(2,3)4/h13-15H,5-12H2,1-4H3/t13-,14+,15-/m1/s1
InChIKey NAUYOPAPFWECFB-QLFBSQMISA-N
Mol Weight 309.45 g/mol
Molecular Formula C18H31NO3
Exact Mass 309.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7s7QJOKsRml
Name 2-Valeryl-9-(tert-butoxycarbonyl)-9-azabicyclo[4.2.1]nonane
Alternate Name(s) tert-Butyl 2-pentanoyl-9-azabicyclo[4.2.1]nonane-9-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H31NO3
InChI InChI=1S/C18H31NO3/c1-5-6-10-16(20)14-9-7-8-13-11-12-15(14)19(13)17(21)22-18(2,3)4/h13-15H,5-12H2,1-4H3/t13-,14+,15-/m1/s1
InChIKey NAUYOPAPFWECFB-QLFBSQMISA-N
Molecular Weight 309.450 g/mol
SMILES C(N1[C@]2([C@@](C(=O)CCCC)(CCC[C@@]1(CC2)[H])[H])[H])(OC(C)(C)C)=O
SPLASH splash10-0a4i-0092000000-7584d1c2bee97142ef56
Source of Spectrum F-56-313-14
Wiley ID 855380