| SpectraBase Spectrum ID |
GCCQ48hIY7e |
| Name |
(4S,5S)-(+)-5-(But-1-ynyl)-4-methyl-4,5-dihydro-2(3H)-furanone |
| Alternate Name(s) |
(4S,5S)-5-but-1-ynyl-4-methyl-2-oxolanone
(4S,5S)-5-but-1-ynyl-4-methyloxolan-2-one
(4S,5S)-5-but-1-ynyl-4-methyl-oxolan-2-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H12O2 |
| InChI |
InChI=1S/C9H12O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3,6H2,1-2H3/t7-,8+/m0/s1 |
| InChIKey |
MMBZXKMCWMELFN-JGVFFNPUSA-N |
| Molecular Weight |
152.193 g/mol |
| SMILES |
C1(O[C@@]([C@](C1)(C)[H])(C#CCC)[H])=O |
| SPLASH |
splash10-001i-9200000000-93ad63cdb1fb75b893b6 |
| Source of Spectrum |
U1-2010-692-13 |
| Wiley ID |
1663333 |
