| SpectraBase Spectrum ID |
aqbNjQMNuP |
| Name |
1,2-Benzenedicarboxylic acid, mono(1,2-dimethyl-3-butynyl) ester, (R*,S*)-(.+-.)- |
| Alternate Name(s) |
2-({[(1R,2S)-1,2-dimethyl-3-butynyl]oxy}carbonyl)benzoic acid
3-Methylpent-4-yn-2-yl hemiphthalate |
| CAS Registry Number |
112996-09-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H14O4 |
| InChI |
InChI=1S/C14H14O4/c1-4-9(2)10(3)18-14(17)12-8-6-5-7-11(12)13(15)16/h1,5-10H,2-3H3,(H,15,16)/t9-,10+/m0/s1 |
| InChIKey |
NUORDMAGEUYRQB-VHSXEESVSA-N |
| Molecular Weight |
246.262 g/mol |
| SMILES |
OC(c1c(C(O[C@@]([C@](C#C)(C)[H])(C)[H])=O)cccc1)=O |
| SPLASH |
splash10-0002-2900000000-199f49f1c4e5f18081ea |
| Source of Spectrum |
KC-1987-1618-25 |
| Wiley ID |
1248967 |
