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(2S,1'S,5'S)-(+)-2-(2'-AZABICYCLO-[3.3.0]-OCTAN-2'-YL)-3-METHYLBUTANOL

View entire compound with spectra: 1 NMR, and 2 MS (GC)

(2S,1'S,5'S)-(+)-2-(2'-AZABICYCLO-[3.3.0]-OCTAN-2'-YL)-3-METHYLBUTANOL
SpectraBase Compound ID 4PxcsRAxIIW
InChI InChI=1S/C12H23NO/c1-9(2)12(8-14)13-7-6-10-4-3-5-11(10)13/h9-12,14H,3-8H2,1-2H3/t10-,11-,12+/m0/s1
InChIKey KRSMWNATAYPUIC-SDDRHHMPSA-N
Mol Weight 197.32 g/mol
Molecular Formula C12H23NO
Exact Mass 197.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Rr4AdrMC8
Name (2S,1'S,5'S)-(+)-2-(2'-azabicyclo[3.3.0]octan-2'-yl)-3-methylpbutanol
Alternate Name(s) (2S)-2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3-methyl-1-butanol (2S)-2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3-methyl-butan-1-ol (2S)-2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3-methylbutan-1-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H23NO
InChI InChI=1S/C12H23NO/c1-9(2)12(8-14)13-7-6-10-4-3-5-11(10)13/h9-12,14H,3-8H2,1-2H3/t10-,11-,12+/m0/s1
InChIKey KRSMWNATAYPUIC-SDDRHHMPSA-N
Molecular Weight 197.322 g/mol
SMILES OC[C@@](N1[C@@]2([C@](CCC2)([H])CC1)[H])(C(C)C)[H]
SPLASH splash10-0udi-0900000000-fbb6927b37a9645c4131
Source of Spectrum KC-0-2362-15
Wiley ID 828880