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(S)-2-(Heptan-4-ylamino)-3-phenylpropan-1-ol
SpectraBase Compound ID EMynnMPAGl4
InChI InChI=1S/C16H27NO/c1-3-8-15(9-4-2)17-16(13-18)12-14-10-6-5-7-11-14/h5-7,10-11,15-18H,3-4,8-9,12-13H2,1-2H3/t16-/m0/s1
InChIKey CCQDBZFGSSWAOY-INIZCTEOSA-N
Mol Weight 249.4 g/mol
Molecular Formula C16H27NO
Exact Mass 249.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VedVK9Xxjb
Name (S)-2-(Heptan-4-ylamino)-3-phenylpropan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H27NO
InChI InChI=1S/C16H27NO/c1-3-8-15(9-4-2)17-16(13-18)12-14-10-6-5-7-11-14/h5-7,10-11,15-18H,3-4,8-9,12-13H2,1-2H3/t16-/m0/s1
InChIKey CCQDBZFGSSWAOY-INIZCTEOSA-N
Molecular Weight 249.398 g/mol
SMILES N([C@](CO)(Cc1ccccc1)[H])C(CCC)CCC
SPLASH splash10-0006-9810000000-6e018c06a7c83339067d
Source of Spectrum F-65-6702-11
Synonyms (2S)-2-(heptan-4-ylamino)-3-phenyl-1-propanol (2S)-2-(heptan-4-ylamino)-3-phenylpropan-1-ol (2S)-2-(heptan-4-ylamino)-3-phenyl-propan-1-ol
Wiley ID 1680257