| SpectraBase Spectrum ID |
LCh58dKYuXc |
| Name |
Benzaldehyde, 4-chloro-, (hexadecahydro-5,10,13-trimethyl-17H-cyclopenta[A]phenantren-17-ylidene)hydrazone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.264526899 u |
| Formula |
C27H37ClN2 |
| InChI |
InChI=1S/C27H37ClN2/c1-25-14-4-5-15-27(25,3)23-13-17-26(2)22(21(23)12-16-25)10-11-24(26)30-29-18-19-6-8-20(28)9-7-19/h6-9,18,21-23H,4-5,10-17H2,1-3H3/b29-18+,30-24+/t21?,22?,23?,25-,26+,27-/m1/s1 |
| InChIKey |
JAGZAAYGXJKWOX-UNTYILMZSA-N |
| Molecular Weight |
425.060 g/mol |
| SMILES |
[C@@]12(C(C3CC[C@@]4([C@](C3CC2)(C)CCCC4)C)CC\C1=N\N=C\C=1C=CC(=CC1)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852 |
![Benzaldehyde, 4-chloro-, (hexadecahydro-5,10,13-trimethyl-17H-cyclopenta[a]phenantren-17-ylidene)hydrazone](/api/spectrum/LCh58dKYuXc/structure.png?h=300&w=458 "Benzaldehyde, 4-chloro-, (hexadecahydro-5,10,13-trimethyl-17H-cyclopenta[a]phenantren-17-ylidene)hydrazone")
