| SpectraBase Spectrum ID |
JmuPiTjQGad |
| Name |
(sp,R)-3-[N'-(1-Phenylethyl)acetamido-2-oxo-2-hydrazinomethylene-[2.2]paracyclophane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.210327119 u |
| Formula |
C27H27N3O2 |
| InChI |
InChI=1S/C27H27N3O2/c1-19(23-5-3-2-4-6-23)29-26(31)27(32)30-28-18-25-17-22-12-11-20-7-9-21(10-8-20)13-15-24(25)16-14-22/h2-10,14,16-19H,11-13,15H2,1H3,(H,29,31)(H,30,32)/b28-18+/t19-/m1/s1 |
| InChIKey |
BRPNANPHPAMVBL-AZFHEMCLSA-N |
| Molecular Weight |
425.532 g/mol |
| SMILES |
C(C(N[C@@](C1=CC=CC=C1)(C)[H])=O)(N\N=C\C=1C2=CC=C(C1)CCC1=CC=C(CC2)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931266 |
![(Sp,R)-3-[N'-(1-phenylethyl)acetamido-2-oxo-2-hydrazinomethylene-[2.2]paracyclophane](/api/spectrum/JmuPiTjQGad/structure.png?h=300&w=458 "(Sp,R)-3-[N'-(1-phenylethyl)acetamido-2-oxo-2-hydrazinomethylene-[2.2]paracyclophane")
