| SpectraBase Spectrum ID |
DOt13LOCx0j |
| Name |
(E)-N(1)-(1-buten-3-yn-1-yl)thymine |
| CAS Registry Number |
120991-09-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H8N2O2 |
| InChI |
InChI=1S/C9H8N2O2/c1-3-4-5-11-6-7(2)8(12)10-9(11)13/h1,4-6H,2H3,(H,10,12,13)/b5-4+ |
| InChIKey |
MDQPGFQQSKFZPS-SNAWJCMRSA-N |
| Molecular Weight |
176.175 g/mol |
| SMILES |
N1C(C(=CN(C1=O)\C=C\C#C)C)=O |
| SPLASH |
splash10-004i-0900000000-6d0ecf8da27dfbb05a0f |
| Source of Spectrum |
J-54-3678-17 |
| Synonyms |
1-[(1E)-1-buten-3-ynyl]-5-methyl-2,4(1H,3H)-pyrimidinedione |
| Wiley ID |
1172140 |
