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(2S)-2-{[1-(4-fluorobutyl)-1H-indazol-3-yl]formamido}-3,3-dimethylbutanoic acid
SpectraBase Compound ID FU1hW238iox
InChI InChI=1S/C18H24FN3O3/c1-18(2,3)15(17(24)25)20-16(23)14-12-8-4-5-9-13(12)22(21-14)11-7-6-10-19/h4-5,8-9,15H,6-7,10-11H2,1-3H3,(H,20,23)(H,24,25)/t15-/m1/s1
InChIKey MRWJDMYYZZXELF-OAHLLOKOSA-N
Mol Weight 349.41 g/mol
Molecular Formula C18H24FN3O3
Exact Mass 349.18017 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lFjbsNK8Fa
Name (2S)-2-{[1-(4-fluorobutyl)-1H-indazol-3-yl]formamido}-3,3-dimethylbutanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24FN3O3
InChI InChI=1S/C18H24FN3O3/c1-18(2,3)15(17(24)25)20-16(23)14-12-8-4-5-9-13(12)22(21-14)11-7-6-10-19/h4-5,8-9,15H,6-7,10-11H2,1-3H3,(H,20,23)(H,24,25)/t15-/m1/s1
InChIKey MRWJDMYYZZXELF-OAHLLOKOSA-N
Molecular Weight 349.406 g/mol
SMILES N(C(c1n[n](c2c1cccc2)CCCCF)=O)[C@](C(O)=O)(C(C)(C)C)[H]
SPLASH splash10-0059-5980000000-006c671ba6a2b2e65e72
Source of Spectrum CAY-2023-446-0
Wiley ID 1888411