| SpectraBase Spectrum ID |
JlzfAFk0byn |
| Name |
(5aR,8S,8aS)-8-chloranyl-2,4-dimethyl-5,5a,8,8a-tetrahydropentaleno[2,1-d]pyrimidine-1,3-dione |
| Alternate Name(s) |
(5aR,8S,8aS)-8-chloro-2,4-dimethyl-5,5a,8,8a-tetrahydropentaleno[2,1-d]pyrimidine-1,3-dione
(5aR,8S,8aS)-8-chloro-2,4-dimethyl-5,5a,8,8a-tetrahydropentaleno[2,1-d]pyrimidine-1,3-quinone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13ClN2O2 |
| InChI |
InChI=1S/C12H13ClN2O2/c1-14-8-5-6-3-4-7(13)9(6)10(8)11(16)15(2)12(14)17/h3-4,6-7,9H,5H2,1-2H3/t6-,7-,9+/m0/s1 |
| InChIKey |
MZVMWKXAAIORRW-ACLDMZEESA-N |
| Molecular Weight |
252.701 g/mol |
| SMILES |
C1=2C(N(C)C(N(C2C[C@]2([C@@]1([C@](C=C2)(Cl)[H])[H])[H])C)=O)=O |
| SPLASH |
splash10-0gb9-0090000000-62408563e46ad076dceb |
| Source of Spectrum |
H1-47-435-5 |
| Wiley ID |
816077 |
![(5aR,8S,8aS)-8-chloranyl-2,4-dimethyl-5,5a,8,8a-tetrahydropentaleno[2,1-d]pyrimidine-1,3-dione](/api/spectrum/JlzfAFk0byn/structure.png?h=300&w=458 "(5aR,8S,8aS)-8-chloranyl-2,4-dimethyl-5,5a,8,8a-tetrahydropentaleno[2,1-d]pyrimidine-1,3-dione")
