Debug Info

object
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_id
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HUU57zT4ZDt
spectrumID
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HUU57zT4ZDt
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specType
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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compound
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Ethyl 5-butyl-3-cyclopropyl-1H-pyrrole-2-carboxylate
SpectraBase Compound ID FyzDayY5vOl
InChI InChI=1S/C14H21NO2/c1-3-5-6-11-9-12(10-7-8-10)13(15-11)14(16)17-4-2/h9-10,15H,3-8H2,1-2H3
InChIKey IBWXYBFFXKZPGM-UHFFFAOYSA-N
Mol Weight 235.33 g/mol
Molecular Formula C14H21NO2
Exact Mass 235.157229 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUU57zT4ZDt
Name Ethyl 5-butyl-3-cyclopropyl-1H-pyrrole-2-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO2
InChI InChI=1S/C14H21NO2/c1-3-5-6-11-9-12(10-7-8-10)13(15-11)14(16)17-4-2/h9-10,15H,3-8H2,1-2H3
InChIKey IBWXYBFFXKZPGM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201301154
Molecular Weight 235.327 g/mol
SMILES [nH]1c(cc(c1C(OCC)=O)C1CC1)CCCC
SPLASH splash10-06rm-0940000000-05b6bc7c5351e979f2e1
Source of Spectrum ACI-52-SMS16-3da
Wiley ID 1781269
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