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(1R,2S)-1-pentanamido-2,3-dihydro-1H-inden-2-yl pentanoate
SpectraBase Compound ID D1I4PHZkDqZ
InChI InChI=1S/C19H27NO3/c1-3-5-11-17(21)20-19-15-10-8-7-9-14(15)13-16(19)23-18(22)12-6-4-2/h7-10,16,19H,3-6,11-13H2,1-2H3,(H,20,21)/t16-,19+/m0/s1
InChIKey LUQXRVJCXNVZHW-QFBILLFUSA-N
Mol Weight 317.43 g/mol
Molecular Formula C19H27NO3
Exact Mass 317.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKtwJaFaAGy
Name (1R,2S)-1-pentanamido-2,3-dihydro-1H-inden-2-yl pentanoate
Appearance White solid
Carrier Gas Argon
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Exact Mass 317.199093730 u
Formula C19H27NO3
InChI InChI=1S/C19H27NO3/c1-3-5-11-17(21)20-19-15-10-8-7-9-14(15)13-16(19)23-18(22)12-6-4-2/h7-10,16,19H,3-6,11-13H2,1-2H3,(H,20,21)/t16-,19+/m0/s1
InChIKey LUQXRVJCXNVZHW-QFBILLFUSA-N
Instrument Name AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202200062
Quality 136
Reported Formula C19H27NO3
SMILES N(C(CCCC)=O)[C@@]1(C2=C(C[C@@]1(OC(CCCC)=O)[H])C=CC=C2)[H]
SPLASH splash10-001i-3930000000-74ce46d114b4b034fdfa
Source of Spectrum ACI-61-SM47-6aq (DOI: 10.1002/anie.202200062)
Thin-Layer Chromatography 0.2 (pentane/EA, 5:1)
Wiley ID 1897630