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MMB2201

View entire compound with spectra: 3 FTIR, 1 Raman, and 5 MS (GC)

MMB2201
SpectraBase Compound ID G3u7pjx9ein
InChI InChI=1S/C20H27FN2O3/c1-14(2)18(20(25)26-3)22-19(24)16-13-23(12-8-4-7-11-21)17-10-6-5-9-15(16)17/h5-6,9-10,13-14,18H,4,7-8,11-12H2,1-3H3,(H,22,24)/t18-/m0/s1
InChIKey JFXASAFVUQVGEW-SFHVURJKSA-N
Mol Weight 362.45 g/mol
Molecular Formula C20H27FN2O3
Exact Mass 362.200571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCDhyjwmG2j
Name MMB2201
Alternate Name(s) Methyl-(1-(5-fluoropentyl)-1H-indole-3-carbonyl)-L-valinate I-AMB Methyl (1-(5-fluoropentyl)-1H-indole-3-carbonyl)-L-valinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27FN2O3
InChI InChI=1S/C20H27FN2O3/c1-14(2)18(20(25)26-3)22-19(24)16-13-23(12-8-4-7-11-21)17-10-6-5-9-15(16)17/h5-6,9-10,13-14,18H,4,7-8,11-12H2,1-3H3,(H,22,24)/t18-/m0/s1
InChIKey JFXASAFVUQVGEW-SFHVURJKSA-N
Molecular Weight 362.445 g/mol
SMILES N(C(c1c2ccccc2[n](c1)CCCCCF)=O)[C@](C(=O)OC)(C(C)C)[H]
SPLASH splash10-001i-1490000000-4ab7e60edcf04a287cc2
Source of Spectrum SWG-33-4141-0
Wiley ID 1810785