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1-(1-ADAMANTYL)-3-CARBOXY-4-NITRO-PYRAZOLE
SpectraBase Compound ID 9bMvzUCGhYy
InChI InChI=1S/C14H17N3O4/c18-13(19)12-11(17(20)21)7-16(15-12)14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6H2,(H,18,19)
InChIKey KSPSQGXCQMJFKD-UHFFFAOYSA-N
Mol Weight 291.31 g/mol
Molecular Formula C14H17N3O4
Exact Mass 291.121906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vXqQMBciga
Name Pyrazole-3-carboxylic acid, 1-(1-adamantyl)-4-nitro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17N3O4
InChI InChI=1S/C14H17N3O4/c18-13(19)12-11(17(20)21)7-16(15-12)14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6H2,(H,18,19)
InChIKey KSPSQGXCQMJFKD-UHFFFAOYSA-N
Molecular Weight 291.307 g/mol
SMILES OC(c1c(c[n](C23CC4CC(C3)CC(C2)C4)n1)N(=O)=O)=O
SPLASH splash10-002o-9510000000-ebc57763740d74016505
Source of Spectrum AD-0-2532-0
Synonyms 1-(1-Adamantyl)-4-nitro-1H-pyrazole-3-carboxylic acid 1-(1-adamantyl)-4-nitro-3-pyrazolecarboxylic acid 1-(1-adamantyl)-4-nitro-pyrazole-3-carboxylic acid
Wiley ID 1433980