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7-(2'-Methylbutyryl)-Retrocenine

View entire compound with spectra: 1 MS (GC)

7-(2'-Methylbutyryl)-Retrocenine
SpectraBase Compound ID 6i2NPV0eZK
InChI InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h4,9,11-12,15H,3,5-8H2,1-2H3/t9?,11-,12-/m1/s1
InChIKey NSBSOFPYQQNEGC-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 E5Ns1DMqD3
Name 7-(2'-Methylbutyryl)-Retrocenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO3
InChI InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h4,9,11-12,15H,3,5-8H2,1-2H3/t9?,11-,12-/m1/s1
InChIKey NSBSOFPYQQNEGC-JZXPMDSESA-N
Molecular Weight 239.315 g/mol
SMILES OCC=1[C@]2(N(CC1)CC[C@]2(OC(=O)C(CC)C)[H])[H]
SPLASH splash10-008c-8900000000-9a681d3fc7ad36db89a6
Source of Spectrum G4-59-311-10
Synonyms 2-Methylbutanoic acid [(1R,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] ester [(1R,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 2-methylbutanoate
Wiley ID 1606258