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Reproterol-A
SpectraBase Compound ID BIBsqHfATAc
InChI InChI=1S/C10H12N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h4,6H,1,5H2,2-3H3
InChIKey ZGIBYCLLIMGXEZ-UHFFFAOYSA-N
Mol Weight 220.23 g/mol
Molecular Formula C10H12N4O2
Exact Mass 220.096026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50f3W3b8693
Name 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-propenyl)-
CAS Registry Number 61444-26-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12N4O2
InChI InChI=1S/C10H12N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h4,6H,1,5H2,2-3H3
InChIKey ZGIBYCLLIMGXEZ-UHFFFAOYSA-N
Molecular Weight 220.232 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](CC=C)cn1
SPLASH splash10-00r6-9420000000-679372808abe33738a6f
Synonyms Theophylline, 7-allyl- 7-Allyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 1,3-Dimethyl-7-prop-2-enyl-purine-2,6-dione 7-Allyl-1,3-dimethyl-purine-2,6-dione 7-Allyl-1,3-dimethyl-xanthine 7-Allyltheophylline 7H-Purine-2,6(1H,3H)-dione, 7-allyl-1,3-dimethyl- BRN 0226015
Wiley ID 1456656