| SpectraBase Spectrum ID |
72SqOciJY3r |
| Name |
(S)-4-Phenylbutan-2-yl 5-methoxypentanoate |
| Appearance |
Colorless oil |
| Carrier Gas |
Argon |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.172544630 u |
| Formula |
C16H24O3 |
| GC Column |
HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C16H24O3/c1-14(11-12-15-8-4-3-5-9-15)19-16(17)10-6-7-13-18-2/h3-5,8-9,14H,6-7,10-13H2,1-2H3/t14-/m0/s1 |
| InChIKey |
WBLMTPJHLLEIBY-AWEZNQCLSA-N |
| Instrument Name |
Agilent HP-7890A-AMD 402 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202211939 |
| Molecular Weight |
264.365 g/mol |
| Optical Rotation |
[a]D24 = -3.3 (c = 0.0015, CHCl3) |
| Quality |
83 |
| SMILES |
C1(=CC=CC=C1)CC[C@](C)(OC(CCCCOC)=O)[H] |
| SPLASH |
splash10-015c-5900000000-4eb8de3d511e88bdfd2a |
| Sample Comments |
97% ee |
| Source of Spectrum |
ACI-61-SM54-86 (DOI: 10.1002/anie.202211939) |
| Wiley ID |
1899589 |
