| SpectraBase Spectrum ID |
4QBtG3zfiMx |
| Name |
4-carbomethoxy-1-acetyladamantane |
| Alternate Name(s) |
methyl 5-acetyl-2-adamantanecarboxylate |
| CAS Registry Number |
116002-40-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H20O3 |
| InChI |
InChI=1S/C14H20O3/c1-8(15)14-5-9-3-10(6-14)12(13(16)17-2)11(4-9)7-14/h9-12H,3-7H2,1-2H3/t9?,10-,11+,12+,14- |
| InChIKey |
JFWUZQLUEJWYFE-TWODSWQBSA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
[C@]12(C[C@@]3(CC(C2)C[C@](C1)([C@@]3(C(=O)OC)[H])[H])[H])C(=O)C |
| SPLASH |
splash10-0006-0910000000-4198637069ca85834467 |
| Source of Spectrum |
J-53-4373-14 |
| Wiley ID |
1238405 |
