| SpectraBase Spectrum ID |
3ppi8PLYQtW |
| Name |
1,3-O-Benzylidene-1-C-(5'-methylthio-1H-pyrazol-3'-yl0-D-erythro-glycerol |
| Alternate Name(s) |
(4S,5R)-4-(5-Methylsulfanyl-1H-pyrazol-3-yl)-2-phenyl-[1,3]dioxan-5-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H16N2O3S |
| InChI |
InChI=1S/C14H16N2O3S/c1-20-12-7-10(15-16-12)13-11(17)8-18-14(19-13)9-5-3-2-4-6-9/h2-7,11,13-14,17H,8H2,1H3,(H,15,16)/t11-,13+,14?/m1/s1 |
| InChIKey |
PVCGXPPUWWMQEH-LXKBMQFRSA-N |
| Molecular Weight |
292.353 g/mol |
| SMILES |
[nH]1c(cc([C@]2([C@@](COC(O2)c2ccccc2)(O)[H])[H])n1)SC |
| SPLASH |
splash10-0006-0900000000-b416c602c1ff35825e0c |
| Source of Spectrum |
U-1996-956-12 |
| Wiley ID |
768561 |
