Debug Info

object
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_id
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KTx5Rrs1Gna
spectrumID
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KTx5Rrs1Gna
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Ethyl 6-[2-(ethoxycarbonyl)hydrazinyl]-7H-purine-9-carboxylate
SpectraBase Compound ID 4pT9kdZfyNw
InChI InChI=1S/C11H14N6O4/c1-3-20-10(18)16-15-9-7-8(12-5-13-9)14-6-17(7)11(19)21-4-2/h5-6H,3-4H2,1-2H3,(H,16,18)(H,12,13,15)
InChIKey OFIDAXQXAJZANX-UHFFFAOYSA-N
Mol Weight 294.27 g/mol
Molecular Formula C11H14N6O4
Exact Mass 294.107653 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTx5Rrs1Gna
Name Ethyl 6-[2-(ethoxycarbonyl)hydrazinyl]-7H-purine-9-carboxylate
Appearance Yellow crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14N6O4
InChI InChI=1S/C11H14N6O4/c1-3-20-10(18)16-15-9-7-8(12-5-13-9)14-6-17(7)11(19)21-4-2/h5-6H,3-4H2,1-2H3,(H,16,18)(H,12,13,15)
InChIKey OFIDAXQXAJZANX-UHFFFAOYSA-N
Instrument Name Shimadzu GC/MS-QP-5050A
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/jhet.2969
Molecular Weight 294.271 g/mol
SMILES N(C(OCC)=O)Nc1c2[n](cnc2ncn1)C(=O)OCC
SPLASH splash10-0zfs-9300000000-0461a98f2e342cb01257
Source of Spectrum Y-54-SM48-26
Wiley ID 1880738
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