| SpectraBase Spectrum ID |
7Lg5OQA4jfX |
| Name |
Benzene, (1,6-dimethyl-1,3,5-heptatrienyl-3-d)- |
| Alternate Name(s) |
4-Deuterio-7-methyl-2-phenyl-2,4,6-octatriene |
| CAS Registry Number |
59193-35-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H17D |
| InChI |
InChI=1S/C15H18/c1-13(2)9-7-8-10-14(3)15-11-5-4-6-12-15/h4-12H,1-3H3/b8-7+,14-10+/i8D |
| InChIKey |
BHQLSBCBZCOPMJ-LWRABSPTSA-N |
| Molecular Weight |
199.315 g/mol |
| SMILES |
C(\C=C\(\C=C\(c1ccccc1)C)[2D])=C(C)C |
| SPLASH |
splash10-000t-0900000000-cf5c32440e16bdf0f908 |
| Source of Spectrum |
AC-1975-2164-0 |
| Wiley ID |
1196381 |
