| SpectraBase Spectrum ID |
Kepien2JMyt |
| Name |
1,4-Pentanediol, 3-methyl-1-phenyl-, [1S-(1R*,3R*,4S*)]- |
| CAS Registry Number |
90026-45-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H18O2 |
| InChI |
InChI=1S/C12H18O2/c1-9(10(2)13)8-12(14)11-6-4-3-5-7-11/h3-7,9-10,12-14H,8H2,1-2H3/t9-,10+,12-/m0/s1 |
| InChIKey |
GQCHSLCNWVNREZ-UMNHJUIQSA-N |
| Molecular Weight |
194.274 g/mol |
| SMILES |
O[C@@](C[C@@]([C@](O)(C)[H])(C)[H])(c1ccccc1)[H] |
| SPLASH |
splash10-0adi-6900000000-46b93cc81e1ac8ceac61 |
| Source of Spectrum |
H-67-299-0 |
| Synonyms |
(1R,3S,4R)- and (1S,3S,4R)-3-methyl-1-phenyl-1,4-pentanediols
(1S,3S,4R)-3-methyl-1-phenyl-1,4-pentanediol |
| Wiley ID |
1190923 |
![1,4-Pentanediol, 3-methyl-1-phenyl-, [1S-(1R*,3R*,4S*)]-](/api/spectrum/Kepien2JMyt/structure.png?h=300&w=458 "1,4-Pentanediol, 3-methyl-1-phenyl-, [1S-(1R*,3R*,4S*)]-")
