| SpectraBase Spectrum ID |
AV2ZHhp898W |
| Name |
(S)-2-allyl-2-phenyl-2,3-dihydro-1H-inden-1-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
186.104465070 u |
| Formula |
C13H14O |
| InChI |
InChI=1S/C13H14O/c1-3-8-13(2)9-10-6-4-5-7-11(10)12(13)14/h3-7H,1,8-9H2,2H3/t13-/m0/s1 |
| InChIKey |
XMTFEESFUXAYCP-ZDUSSCGKSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201601545 |
| Molecular Weight |
186.254 g/mol |
| Optical Rotation |
[a]D = +49.6 (c = 0.5, CH2Cl2) |
| Quality |
106 |
| SMILES |
C1=CC2=C(C=C1)C[C@@](C2=O)(CC=C)C |
| SPLASH |
splash10-00r2-0900000000-5ed22c4ad815f97aeaed |
| Sample Comments |
er = 94.5:5.5 (method A), 90.5:9.5 (method B) |
| Source of Spectrum |
ACI-55-SM13-2j (DOI: 10.1002/anie.201601545) |
| Wiley ID |
1897451 |
