| SpectraBase Spectrum ID |
DNSZqK1Spsb |
| Name |
[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] benzothiophene-2-carboxylate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.149701185 u |
| Formula |
C19H24O2S |
| InChI |
InChI=1S/C19H24O2S/c1-12(2)15-9-8-13(3)10-16(15)21-19(20)18-11-14-6-4-5-7-17(14)22-18/h4-7,11-13,15-16H,8-10H2,1-3H3/t13-,15+,16-/m1/s1 |
| InChIKey |
GCLOCQHLAIFLGF-VNQPRFMTSA-N |
| Instrument Name |
Agilent 5975 MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jacs.2c02102 |
| Molecular Weight |
316.459 g/mol |
| Quality |
126 |
| SMILES |
C12=C(SC(=C2)C(=O)O[C@@]2(C[C@@](CC[C@]2(C(C)C)[H])(C)[H])[H])C=CC=C1 |
| SPLASH |
splash10-01tj-3900000000-abb9e25fc60363c5c9a5 |
| Source of Spectrum |
C-144-SM15-14s (DOI: 10.1021/jacs.2c02102) |
| Wiley ID |
1910594 |
![[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] benzothiophene-2-carboxylate](/api/spectrum/DNSZqK1Spsb/structure.png?h=300&w=458 "[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] benzothiophene-2-carboxylate")
