| SpectraBase Spectrum ID |
9tD6InfKryc |
| Name |
anti-(+)-(2R,1'S)-2-[Hydroxy(3,4,5-trimethoxyphenyl)methyl]cycloheptanone |
| Alternate Name(s) |
(2R)-2-[(S)-hydroxy(3,4,5-trimethoxyphenyl)methyl]cycloheptanone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H24O5 |
| InChI |
InChI=1S/C17H24O5/c1-20-14-9-11(10-15(21-2)17(14)22-3)16(19)12-7-5-4-6-8-13(12)18/h9-10,12,16,19H,4-8H2,1-3H3/t12-,16+/m0/s1 |
| InChIKey |
IQFGCKAYFZLCKE-BLLLJJGKSA-N |
| Molecular Weight |
308.374 g/mol |
| SMILES |
O[C@@]([C@@]1(C(=O)CCCCC1)[H])(c1cc(OC)c(c(c1)OC)OC)[H] |
| SPLASH |
splash10-0002-0901000000-18b79ae8f747c60ad4ab |
| Source of Spectrum |
F-54-10401-0 |
| Wiley ID |
808496 |
![anti-(+)-(2R,1'S)-2-[Hydroxy(3,4,5-trimethoxyphenyl)methyl]cycloheptanone](/api/spectrum/9tD6InfKryc/structure.png?h=300&w=458 "anti-(+)-(2R,1'S)-2-[Hydroxy(3,4,5-trimethoxyphenyl)methyl]cycloheptanone")
