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1H-Indole-2-propanoic acid, octahydro-.alpha.-hydroxy-3-phenyl-, methyl ester, [2.alpha.(R*),3.beta.,3a.alpha.,7a.alpha.]-

View entire compound with spectra: 1 MS (GC)

1H-Indole-2-propanoic acid, octahydro-.alpha.-hydroxy-3-phenyl-, methyl ester, [2.alpha.(R*),3.beta.,3a.alpha.,7a.alpha.]-
SpectraBase Compound ID H9A5i2waFuD
InChI InChI=1S/C18H25NO3/c1-22-18(21)16(20)11-15-17(12-7-3-2-4-8-12)13-9-5-6-10-14(13)19-15/h2-4,7-8,13-17,19-20H,5-6,9-11H2,1H3/t13-,14+,15+,16+,17-/m0/s1
InChIKey FTLNGZSRYPEOSG-UTSKFRMZSA-N
Mol Weight 303.4 g/mol
Molecular Formula C18H25NO3
Exact Mass 303.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5GCASGzLLI
Name 1H-Indole-2-propanoic acid, octahydro-.alpha.-hydroxy-3-phenyl-, methyl ester, [2.alpha.(R*),3.beta.,3a.alpha.,7a.alpha.]-
Alternate Name(s) L,L,L,L-octahydro-1H-indole-3-phenyl-2-[2-hydroxypropanoate methyl (2R)-3-[(2R,3R,3aR,7aR)-3-phenyloctahydro-1H-indol-2-yl]-2-hydroxypropanoate
CAS Registry Number 111491-58-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO3
InChI InChI=1S/C18H25NO3/c1-22-18(21)16(20)11-15-17(12-7-3-2-4-8-12)13-9-5-6-10-14(13)19-15/h2-4,7-8,13-17,19-20H,5-6,9-11H2,1H3/t13-,14+,15+,16+,17-/m0/s1
InChIKey FTLNGZSRYPEOSG-UTSKFRMZSA-N
Molecular Weight 303.402 g/mol
SMILES N1[C@]2([C@@]([C@@]([C@]1(C[C@](C(=O)OC)(O)[H])[H])(c1ccccc1)[H])(CCCC2)[H])[H]
SPLASH splash10-0udi-0091000000-bca2c843a34b2bd759e8
Source of Spectrum I-65-848-0
Wiley ID 1305725