Benzhydryl 7.beta.-[(2'-thienyl)acetamido]-3-(acetoxymethyl)-3-cephem-4-carboxylate - 1(S)-.beta.-Oxide - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	8Ulf9nikhbl
InChI	InChI=1S/C29H26N2O7S2/c1-18(32)37-16-21-17-40(36)28-24(30-23(33)15-22-13-8-14-39-22)27(34)31(28)25(21)29(35)38-26(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-14,24,26,28H,15-17H2,1H3,(H,30,33)/t24-,28-,40?/m1/s1
InChIKey	BZGCMPVHRUZZDS-BBBLUFPSSA-N Google Search
Mol Weight	578.65 g/mol
Molecular Formula	C29H26N2O7S2
Exact Mass	578.118144 g/mol

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SpectraBase Spectrum ID	4HVu1CQx9pJ
Name	Benzhydryl 7.beta.-[(2'-thienyl)acetamido]-3-(acetoxymethyl)-3-cephem-4-carboxylate - 1(S)-.beta.-Oxide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H26N2O7S2
InChI	InChI=1S/C29H26N2O7S2/c1-18(32)37-16-21-17-40(36)28-24(30-23(33)15-22-13-8-14-39-22)27(34)31(28)25(21)29(35)38-26(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-14,24,26,28H,15-17H2,1H3,(H,30,33)/t24-,28-,40?/m1/s1
InChIKey	BZGCMPVHRUZZDS-BBBLUFPSSA-N
Molecular Weight	578.654 g/mol
SMILES	N([C@@]1(C(N2[C@@]1(S(=O)CC(=C2C(OC(c1ccccc1)c1ccccc1)=O)COC(=O)C)[H])=O)[H])C(Cc1sccc1)=O
SPLASH	splash10-0002-0000490000-a1dd3c7b134b1f742822
Source of Spectrum	F2-126-852-0
Wiley ID	1549844