| SpectraBase Spectrum ID |
x7f6nfDqgI |
| Name |
(1-2H1)Hex-5-yn-1-yl 4-methylbenzene(O-18O)sulfonate |
| Comments |
Original formula: C13H15DO2[18O]S |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O3S |
| InChI |
InChI=1S/C13H16O3S/c1-3-4-5-6-11-16-17(14,15)13-9-7-12(2)8-10-13/h1,7-10H,4-6,11H2,2H3/i11D,16+2 |
| InChIKey |
CKJWLEMTYAEICI-KGRIFWNLSA-N |
| Literature Reference DOI |
10.1002/anie.201310280 |
| Molecular Weight |
255.334 g/mol |
| SMILES |
c1cc(ccc1S(=O)(=O)[18O]C(CCCC#C)[D])C |
| SPLASH |
splash10-000x-9400000000-e70a29154dd1a92e3c5c |
| Source of Spectrum |
ACI-53-SMS72-([D,18O]_1a) |
| Synonyms |
Hex-5-yn-1-yl-1-d 4-methylbenzenesulfonate-18O |
| Wiley ID |
1782094 |
