| SpectraBase Spectrum ID |
E6dzV5jPjk4 |
| Name |
1,3-Dimethyl-(7.alpha.,8.alpha.,10.beta..)-9H-7,8-chloromethanocycloheptapyrimidine-2,4-dione |
| Alternate Name(s) |
(1S,1aS,8aR)-1-Chloro-3,5-dimethyl-1a,2,3,8a-tetrahydro-1H-3,5-diaza-benzo[a]cyclopropa[d]cycloheptene-4,6-dione
(6aR,7S,7aS)-7-chloro-1,3-dimethyl-6a,7,7a,8-tetrahydrocyclopropa[5,6]cyclohepta[1,2-d]pyrimidine-2,4(1H,3H)-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13ClN2O2 |
| InChI |
InChI=1S/C12H13ClN2O2/c1-14-9-5-8-6(10(8)13)3-4-7(9)11(16)15(2)12(14)17/h3-4,6,8,10H,5H2,1-2H3/t6-,8+,10-/m1/s1 |
| InChIKey |
MBNQYKOMWUBVFT-KDILMLJESA-N |
| Molecular Weight |
252.701 g/mol |
| SMILES |
C1(N(C(C2=C(N1C)C[C@@]1([C@@]([C@@]1(C=C2)[H])(Cl)[H])[H])=O)C)=O |
| SPLASH |
splash10-014i-0090000000-ab8ead325c0112dd8060 |
| Source of Spectrum |
H1-47-436-10 |
| Wiley ID |
816072 |
