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Protheobromine

View entire compound with spectra: 2 MS (GC)

Protheobromine
SpectraBase Compound ID 9TxElGRSiyF
InChI InChI=1S/C10H14N4O3/c1-6(15)4-14-9(16)7-8(11-5-12(7)2)13(3)10(14)17/h5-6,15H,4H2,1-3H3
InChIKey MXRGZXBFSKSZPH-UHFFFAOYSA-N
Mol Weight 238.25 g/mol
Molecular Formula C10H14N4O3
Exact Mass 238.10659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HPXJ8I9Mvo
Name Protheobromine
CAS Registry Number 50-39-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14N4O3
InChI InChI=1S/C10H14N4O3/c1-6(15)4-14-9(16)7-8(11-5-12(7)2)13(3)10(14)17/h5-6,15H,4H2,1-3H3
InChIKey MXRGZXBFSKSZPH-UHFFFAOYSA-N
Molecular Weight 238.247 g/mol
SMILES OC(CN1C(N(c2c(C1=O)[n](C)cn2)C)=O)C
SPLASH splash10-000x-1900000000-3c9e42f3e1733f5bcaf8
Source of Spectrum CJ-1992-0-0
Synonyms 1-(2-hydroxypropyl)-3,7-dimethyl-purine-2,6-dione 1-(2-hydroxypropyl)-3,7-dimethyl-xanthine 3,7-Dimethyl-1-(2-oxidanylpropyl)purine-2,6-dione
Wiley ID 1240070