For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2S,5R)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (diphenylmethyl) ester
SpectraBase Compound ID 8jBkkGMvzdf
InChI InChI=1S/C21H19Br2NO3S/c1-20(2)16(24-18(26)21(22,23)19(24)28-20)17(25)27-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-16,19H,1-2H3/t16-,19+/m0/s1
InChIKey SSLOATPLZXISQE-QFBILLFUSA-N
Mol Weight 525.26 g/mol
Molecular Formula C21H19Br2NO3S
Exact Mass 522.945241 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 19Ul1i5nNm
Name (2S,5R)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (diphenylmethyl) ester
CAS Registry Number 75527-84-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19Br2NO3S
InChI InChI=1S/C21H19Br2NO3S/c1-20(2)16(24-18(26)21(22,23)19(24)28-20)17(25)27-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-16,19H,1-2H3/t16-,19+/m0/s1
InChIKey SSLOATPLZXISQE-QFBILLFUSA-N
Molecular Weight 525.255 g/mol
SMILES [C@@]12(N([C@](C(S2)(C)C)(C(OC(c2ccccc2)c2ccccc2)=O)[H])C(C1(Br)Br)=O)[H]
SPLASH splash10-0udi-0900000000-8b02fedb1c0d65d5267d
Source of Spectrum J-52-3660-5
Synonyms (2S,5R)-6,6-dibromo-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzhydryl ester (diphenylmethyl) (2S,5R)-6,6-bis(bromanyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate benzhydryl (2S,5R)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Wiley ID 1402360