| SpectraBase Spectrum ID |
HjkXN1JDlWg |
| Name |
benzhydryl 6.alpha.-allylpenicillanate |
| CAS Registry Number |
108834-94-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H25NO3S |
| InChI |
InChI=1S/C24H25NO3S/c1-4-11-18-21(26)25-20(24(2,3)29-22(18)25)23(27)28-19(16-12-7-5-8-13-16)17-14-9-6-10-15-17/h4-10,12-15,18-20,22H,1,11H2,2-3H3/t18-,20-,22+/m0/s1 |
| InChIKey |
PBRDZHPCCDCAIC-RCZSKKKRSA-N |
| Molecular Weight |
407.528 g/mol |
| SMILES |
[C@@]12(N([C@](C(S2)(C)C)(C(OC(c2ccccc2)c2ccccc2)=O)[H])C([C@@]1(CC=C)[H])=O)[H] |
| SPLASH |
splash10-014i-0900000000-c976551b398f44391fdb |
| Source of Spectrum |
J-52-3661-16 |
| Synonyms |
benzhydryl (2S,5R,6S)-6-allyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| Wiley ID |
1372599 |
