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1,4,5,6,7,8-hexahydro-4-methylpyrazolo[4.3-b]azepin-3-carbonsaure-ethylester
SpectraBase Compound ID 2KqKsQ3Bul9
InChI InChI=1S/C11H17N3O2/c1-3-16-11(15)9-10-8(12-13-9)6-4-5-7-14(10)2/h3-7H2,1-2H3,(H,12,13)
InChIKey GEPYNZRTSANXCS-UHFFFAOYSA-N
Mol Weight 223.28 g/mol
Molecular Formula C11H17N3O2
Exact Mass 223.132077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31wiM2208pw
Name 1,4,5,6,7,8-hexahydro-4-methylpyrazolo[4.3-b]azepin-3-carbonsaure-ethylester
CAS Registry Number 104739-47-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17N3O2
InChI InChI=1S/C11H17N3O2/c1-3-16-11(15)9-10-8(12-13-9)6-4-5-7-14(10)2/h3-7H2,1-2H3,(H,12,13)
InChIKey GEPYNZRTSANXCS-UHFFFAOYSA-N
Molecular Weight 223.276 g/mol
SMILES [nH]1c2c(c(n1)C(=O)OCC)N(CCCC2)C
SPLASH splash10-002f-5930000000-e11239673cc84f4fbdb7
Source of Spectrum K-119-3598-12
Synonyms Ethyl 4-methyl-1,4,5,6,7,8-hexahydropyrazolo[4,3-b]azepine-3-carboxylate 4-Methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]azepine-3-carboxylic acid ethyl ester Ethyl 4-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]azepine-3-carboxylate
Wiley ID 1223943