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(S)-(-)-2-Amino-1,1-di(2'-octyloxy-5'-tert-butylphenyl)-1-propanol
SpectraBase Compound ID 4TDq6zpC2kc
InChI InChI=1S/C39H65NO3/c1-10-12-14-16-18-20-26-42-35-24-22-31(37(4,5)6)28-33(35)39(41,30(3)40)34-29-32(38(7,8)9)23-25-36(34)43-27-21-19-17-15-13-11-2/h22-25,28-30,41H,10-21,26-27,40H2,1-9H3/t30-/m0/s1
InChIKey RAPLWRAKMKQXHP-PMERELPUSA-N
Mol Weight 596.0 g/mol
Molecular Formula C39H65NO3
Exact Mass 595.496445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQUg9vqp22a
Name (S)-(-)-2-Amino-1,1-di(2'-octyloxy-5'-tert-butylphenyl)-1-propanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H65NO3
InChI InChI=1S/C39H65NO3/c1-10-12-14-16-18-20-26-42-35-24-22-31(37(4,5)6)28-33(35)39(41,30(3)40)34-29-32(38(7,8)9)23-25-36(34)43-27-21-19-17-15-13-11-2/h22-25,28-30,41H,10-21,26-27,40H2,1-9H3/t30-/m0/s1
InChIKey RAPLWRAKMKQXHP-PMERELPUSA-N
Molecular Weight 595.953 g/mol
SMILES N[C@](C(c1cc(C(C)(C)C)ccc1OCCCCCCCC)(c1cc(C(C)(C)C)ccc1OCCCCCCCC)O)(C)[H]
SPLASH splash10-0ufr-1900000000-420a3079c1819a7bd7e6
Source of Spectrum QC-10-422-11
Synonyms (2S)-2-amino-1,1-bis[5-tert-butyl-2-(octyloxy)phenyl]-1-propanol
Wiley ID 871006