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9-(2'-Methylbutyryl)-Retrocenine

View entire compound with spectra: 1 MS (GC)

9-(2'-Methylbutyryl)-Retrocenine
SpectraBase Compound ID EUkHgtp30W3
InChI InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h4,9,11-12,15H,3,5-8H2,1-2H3/t9?,11-,12-/m1/s1
InChIKey TUFVXGZLFOPKLD-JZXPMDSESA-N
Mol Weight 239.31 g/mol
Molecular Formula C13H21NO3
Exact Mass 239.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JWuQoTQZie
Name 9-(2'-Methylbutyryl)-Retrocenine
Alternate Name(s) 2-Methylbutanoic acid [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-methylbutanoate [(7R,8R)-7-oxidanyl-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-methylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO3
InChI InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-8-10-4-6-14-7-5-11(15)12(10)14/h4,9,11-12,15H,3,5-8H2,1-2H3/t9?,11-,12-/m1/s1
InChIKey TUFVXGZLFOPKLD-JZXPMDSESA-N
Molecular Weight 239.315 g/mol
SMILES O[C@@]1(CCN2[C@@]1(C(=CC2)COC(=O)C(CC)C)[H])[H]
SPLASH splash10-000f-9500000000-67f35a421153bf249c83
Source of Spectrum G4-59-311-11
Wiley ID 1606257