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MMB018

View entire compound with spectra: 3 FTIR, 1 Raman, and 1 MS (GC)

MMB018
SpectraBase Compound ID 5Mfv1hcDkjb
InChI InChI=1S/C20H28N2O3/c1-5-6-9-12-22-13-16(15-10-7-8-11-17(15)22)19(23)21-18(14(2)3)20(24)25-4/h7-8,10-11,13-14,18H,5-6,9,12H2,1-4H3,(H,21,23)/t18-/m0/s1
InChIKey XOVHYVWQBVNONJ-SFHVURJKSA-N
Mol Weight 344.46 g/mol
Molecular Formula C20H28N2O3
Exact Mass 344.209993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1U1d6Zb9DJf
Name MMB018
Alternate Name(s) Methyl-(1-pentyl-1H-indole-3-carbonyl)-L-valinate Methyl (1-pentyl-1H-indole-3-carbonyl)-L-valinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28N2O3
InChI InChI=1S/C20H28N2O3/c1-5-6-9-12-22-13-16(15-10-7-8-11-17(15)22)19(23)21-18(14(2)3)20(24)25-4/h7-8,10-11,13-14,18H,5-6,9,12H2,1-4H3,(H,21,23)/t18-/m0/s1
InChIKey XOVHYVWQBVNONJ-SFHVURJKSA-N
Molecular Weight 344.455 g/mol
SMILES N(C(=O)c1c2c([n](c1)CCCCC)cccc2)[C@](C(=O)OC)(C(C)C)[H]
SPLASH splash10-01qc-1790000000-623598f3ca89432ee5c2
Source of Spectrum SWG-33-4111-0
Wiley ID 1810758