Debug Info

object
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_id
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2q2AFGIHBVX
spectrumID
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2q2AFGIHBVX
cost
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specType
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131072
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WMS3X:62904:1
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MS (GC)
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Mass Spectrum (GC)
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compound
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5-Amino-1-isopropyl-4-methyl-pyrrole-2-carbonitrile
SpectraBase Compound ID 2VAXaKVaPZD
InChI InChI=1S/C9H13N3/c1-6(2)12-8(5-10)4-7(3)9(12)11/h4,6H,11H2,1-3H3
InChIKey LFXLLFRMWVKRHW-UHFFFAOYSA-N
Mol Weight 163.22 g/mol
Molecular Formula C9H13N3
Exact Mass 163.110947 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2q2AFGIHBVX
Name 5-Amino-1-isopropyl-4-methyl-pyrrole-2-carbonitrile
CAS Registry Number 74802-98-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13N3
InChI InChI=1S/C9H13N3/c1-6(2)12-8(5-10)4-7(3)9(12)11/h4,6H,11H2,1-3H3
InChIKey LFXLLFRMWVKRHW-UHFFFAOYSA-N
Molecular Weight 163.224 g/mol
SMILES Nc1[n](c(cc1C)C#N)C(C)C
SPLASH splash10-00dl-4900000000-56127a44f046d72ac4d0
Source of Spectrum F-36-140-7
Synonyms 5-Amino-4-methyl-1-propan-2-yl-2-pyrrolecarbonitrile 5-Amino-4-methyl-1-propan-2-ylpyrrole-2-carbonitrile 5-Azanyl-4-methyl-1-propan-2-yl-pyrrole-2-carbonitrile
Wiley ID 1159489
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