| SpectraBase Spectrum ID |
2faWnXxqEXP |
| Name |
Carbamic acid, [2-(3-oxohexyl)-3-propylcyclohexyl]-, 1,1-dimethylethyl ester, [1S-(1.alpha.,2.beta.,3.beta.)]- |
| CAS Registry Number |
112680-55-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H37NO3 |
| InChI |
InChI=1S/C20H37NO3/c1-6-9-15-11-8-12-18(21-19(23)24-20(3,4)5)17(15)14-13-16(22)10-7-2/h15,17-18H,6-14H2,1-5H3,(H,21,23)/t15-,17-,18-/m0/s1 |
| InChIKey |
IAMJFGOUEATWBL-SZMVWBNQSA-N |
| Molecular Weight |
339.520 g/mol |
| SMILES |
N(C(OC(C)(C)C)=O)[C@@]1([C@@](CCC(=O)CCC)([C@@](CCC)(CCC1)[H])[H])[H] |
| SPLASH |
splash10-000i-0090000000-f8e048d4202871b4ff04 |
| Source of Spectrum |
J-53-1383-14 |
| Synonyms |
tert-butyl (1S,2S,3S)-2-(3-oxohexyl)-3-propylcyclohexylcarbamate |
| Wiley ID |
1334622 |
![Carbamic acid, [2-(3-oxohexyl)-3-propylcyclohexyl]-, 1,1-dimethylethyl ester, [1S-(1.alpha.,2.beta.,3.beta.)]-](/api/spectrum/2faWnXxqEXP/structure.png?h=300&w=458 "Carbamic acid, [2-(3-oxohexyl)-3-propylcyclohexyl]-, 1,1-dimethylethyl ester, [1S-(1.alpha.,2.beta.,3.beta.)]-")
