| SpectraBase Spectrum ID |
3x6gNutjBcK |
| Name |
1-[(1R,3S)-1-Methyl-3-(1-methylethenyl)cyclopent-1-yl][2,3-13C2]prop-2-en-1-one |
| Alternate Name(s) |
1-((1R,3S)-1-methyl-3-(prop-1-en-2-yl)cyclopentyl)prop-2-en-1-one-2,3-13C2 |
| Comments |
Original formula: C10[13C]2H18O |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H18O |
| InChI |
InChI=1S/C12H18O/c1-5-11(13)12(4)7-6-10(8-12)9(2)3/h5,10H,1-2,6-8H2,3-4H3/t10-,12+/m0/s1/i1+1,5+1 |
| InChIKey |
LEGRUCXBPSXDMQ-CFBHGVHKSA-N |
| Literature Reference DOI |
10.1002/hlca.200490180 |
| Molecular Weight |
180.260 g/mol |
| SMILES |
[13CH](C([C@@]1(CC[C@](C(C)=C)(C1)[H])C)=O)=[13CH2] |
| SPLASH |
splash10-053r-9200000000-64cac15b494d59e31472 |
| Source of Spectrum |
H-87-2019-[(13)C2]_24 |
| Wiley ID |
1785572 |
![1-[(1R,3S)-1-Methyl-3-(1-methylethenyl)cyclopent-1-yl][2,3-13C2]prop-2-en-1-one](/api/spectrum/3x6gNutjBcK/structure.png?h=300&w=458 "1-[(1R,3S)-1-Methyl-3-(1-methylethenyl)cyclopent-1-yl][2,3-13C2]prop-2-en-1-one")
