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Oxiranemethanol, .alpha.-[(phenylmethoxy)methyl]-, 4-nitrobenzoate, [S-(R*,S*)]-
SpectraBase Compound ID IhegT9CToez
InChI InChI=1S/C18H17NO6/c20-18(14-6-8-15(9-7-14)19(21)22)25-17(16-12-24-16)11-23-10-13-4-2-1-3-5-13/h1-9,16-17H,10-12H2/t16-,17-/m0/s1
InChIKey VIWFMJDCRZJWSR-IRXDYDNUSA-N
Mol Weight 343.34 g/mol
Molecular Formula C18H17NO6
Exact Mass 343.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65trJTr1NDZ
Name Oxiranemethanol, .alpha.-[(phenylmethoxy)methyl]-, 4-nitrobenzoate, [S-(R*,S*)]-
CAS Registry Number 78469-88-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO6
InChI InChI=1S/C18H17NO6/c20-18(14-6-8-15(9-7-14)19(21)22)25-17(16-12-24-16)11-23-10-13-4-2-1-3-5-13/h1-9,16-17H,10-12H2/t16-,17-/m0/s1
InChIKey VIWFMJDCRZJWSR-IRXDYDNUSA-N
Molecular Weight 343.335 g/mol
SMILES c1(N(=O)=O)ccc(C(O[C@]([C@]2(OC2)[H])(COCc2ccccc2)[H])=O)cc1
SPLASH splash10-0f6x-7900000000-4eeca8960269769af138
Source of Spectrum H-64-694-0
Synonyms (1S)-2-(benzyloxy)-1-[(2S)-oxiranyl]ethyl 4-nitrobenzoate 1-Benzyloxy-3,4-epoxy-2-butyl ester of (2S,3S)-p-nitrobenzoic acid
Wiley ID 1337237