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R-Methyl 2-[4-(2-heptylamino-ethyl)phenoxy]-3-phenyl-propanoate
SpectraBase Compound ID JfLVKxlfHcZ
InChI InChI=1S/C25H35NO3/c1-3-4-5-6-10-18-26-19-17-21-13-15-23(16-14-21)29-24(25(27)28-2)20-22-11-8-7-9-12-22/h7-9,11-16,24,26H,3-6,10,17-20H2,1-2H3/t24-/m1/s1
InChIKey PRCCXCRIYIGAPJ-XMMPIXPASA-N
Mol Weight 397.6 g/mol
Molecular Formula C25H35NO3
Exact Mass 397.261694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYq2Sh9JmDh
Name R-Methyl 2-[4-(2-heptylamino-ethyl)phenoxy]-3-phenyl-propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H35NO3
InChI InChI=1S/C25H35NO3/c1-3-4-5-6-10-18-26-19-17-21-13-15-23(16-14-21)29-24(25(27)28-2)20-22-11-8-7-9-12-22/h7-9,11-16,24,26H,3-6,10,17-20H2,1-2H3/t24-/m1/s1
InChIKey PRCCXCRIYIGAPJ-XMMPIXPASA-N
Instrument Name HP 6890-5973
Ionization Type EI
Literature Reference DOI 10.1021/jm201306q
Molecular Weight 397.559 g/mol
SMILES N(CCc1ccc(cc1)O[C@](Cc1ccccc1)(C(OC)=O)[H])CCCCCCC
SPLASH splash10-004i-0910000000-9177f0a7ac84aecfcb7a
Source of Spectrum AF-55-SM2-2-8
Wiley ID 1851982