| SpectraBase Spectrum ID |
5b2n0CQ7X9w |
| Name |
3-Furanacetic acid, tetrahydro-4,5,5-trimethyl-2-oxo-, methyl ester, trans- |
| Alternate Name(s) |
3-(methoxycarbonylmethyl)-4,5,5-trimethyltetrahydrofuran-2-one (isomer a)
methyl[(3R,4R)-4,5,5-trimethyl-2-oxotetrahydro-3-furanyl]acetate |
| CAS Registry Number |
77613-23-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H16O4 |
| InChI |
InChI=1S/C10H16O4/c1-6-7(5-8(11)13-4)9(12)14-10(6,2)3/h6-7H,5H2,1-4H3/t6-,7-/m1/s1 |
| InChIKey |
KMFDHKPCXVSYFP-RNFRBKRXSA-N |
| Molecular Weight |
200.234 g/mol |
| SMILES |
C1(OC(C)(C)[C@@]([C@]1(CC(=O)OC)[H])(C)[H])=O |
| SPLASH |
splash10-03di-0900000000-3a1aeb6999fa086d2f3f |
| Source of Spectrum |
I-59-299-0 |
| Wiley ID |
1197398 |
