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MDMB-5Me-INACA
SpectraBase Compound ID 7aW7eOVZ8Od
InChI InChI=1S/C16H21N3O3/c1-9-6-7-11-10(8-9)12(19-18-11)14(20)17-13(15(21)22-5)16(2,3)4/h6-8,13H,1-5H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKey OBEPVZFBSIMMHX-CYBMUJFWSA-N
Mol Weight 303.36 g/mol
Molecular Formula C16H21N3O3
Exact Mass 303.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3R2CmtlA09Q
Name MDMB-5-methyl INACA
Catalog Number 39658
Lot Number 688513
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.158291545 u
Formula C16H21N3O3
InChI InChI=1S/C16H21N3O3/c1-9-6-7-11-10(8-9)12(19-18-11)14(20)17-13(15(21)22-5)16(2,3)4/h6-8,13H,1-5H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKey OBEPVZFBSIMMHX-CYBMUJFWSA-N
Molecular Weight 303.362 g/mol
Purity >=98%
Quality 995
SMILES N1C2=C(C(C(N[C@@](C(C)(C)C)(C(OC)=O)[H])=O)=N1)C=C(C=C2)C
SPLASH splash10-0a4i-3940000000-d89653d25379f5312133
Source of Spectrum CAY-2024-2276-0
Synonyms methyl (S)-3,3-dimethyl-2-(5-methyl-1H-indazole-3-carboxamido)butanoate methyl (2S)-3,3-dimethyl-2-[(5-methyl-1H-indazol-3-yl)formamido]butanoate
Wiley ID 1890461