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2-Valeryl-9-(tert-butoxycarbonyl)-9-azabicyclo[4.2.1]non-4-ene
SpectraBase Compound ID CAQfCmYDjou
InChI InChI=1S/C18H29NO3/c1-5-6-10-16(20)14-9-7-8-13-11-12-15(14)19(13)17(21)22-18(2,3)4/h7-8,13-15H,5-6,9-12H2,1-4H3/t13-,14?,15-/m0/s1
InChIKey LLPISHIVBCCQDZ-LWEDLAQUSA-N
Mol Weight 307.43 g/mol
Molecular Formula C18H29NO3
Exact Mass 307.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOYteDr9EJQ
Name 2-Valeryl-9-(tert-butoxycarbonyl)-9-azabicyclo[4.2.1]non-4-ene
Alternate Name(s) tert-Butyl 5-pentanoyl-9-azabicyclo[4.2.1]non-2-ene-9-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H29NO3
InChI InChI=1S/C18H29NO3/c1-5-6-10-16(20)14-9-7-8-13-11-12-15(14)19(13)17(21)22-18(2,3)4/h7-8,13-15H,5-6,9-12H2,1-4H3/t13-,14?,15-/m0/s1
InChIKey LLPISHIVBCCQDZ-LWEDLAQUSA-N
Molecular Weight 307.434 g/mol
SMILES C(N1[C@@]2(C(C(=O)CCCC)CC=C[C@]1(CC2)[H])[H])(OC(C)(C)C)=O
SPLASH splash10-0pb9-0090000000-24716808281a23c134c2
Source of Spectrum F-56-313-13
Wiley ID 855383