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Benzoic acid, 2-[2-(methylthio)-4-oxo-1-azetidinyl]-, phenylmethyl ester, (.+-.)-
SpectraBase Compound ID 8VPtnwSbQ4b
InChI InChI=1S/C18H17NO3S/c1-23-17-11-16(20)19(17)15-10-6-5-9-14(15)18(21)22-12-13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3
InChIKey QVIHDULMNGARIV-UHFFFAOYSA-N
Mol Weight 327.4 g/mol
Molecular Formula C18H17NO3S
Exact Mass 327.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QbcgRFv3Fb
Name Benzoic acid, 2-[2-(methylthio)-4-oxo-1-azetidinyl]-, phenylmethyl ester, (.+-.)-
Alternate Name(s) 1-(2-Benzyloxycarbonylphenyl)-4-methylthio-2-azetidinone benzyl 2-[2-(methylsulfanyl)-4-oxo-1-azetidinyl]benzoate 2-[2-(methylthio)-4-oxo-1-azetidinyl]benzoic acid (phenylmethyl) ester benzyl 2-(2-methylsulfanyl-4-oxoazetidin-1-yl)benzoate benzyl 2-(2-methylsulfanyl-4-oxo-azetidin-1-yl)benzoate (phenylmethyl) 2-(2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)benzoate
CAS Registry Number 90136-87-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO3S
InChI InChI=1S/C18H17NO3S/c1-23-17-11-16(20)19(17)15-10-6-5-9-14(15)18(21)22-12-13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3
InChIKey QVIHDULMNGARIV-UHFFFAOYSA-N
Molecular Weight 327.398 g/mol
SMILES C1(N(C(C1)SC)c1c(C(OCc2ccccc2)=O)cccc1)=O
SPLASH splash10-006x-9200000000-d3407d34413bceec5eaf
Source of Spectrum AH-115-220-0
Wiley ID 1325490