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Oxiranemethanol, 3-[(phenylmethoxy)methyl]-, 4-nitrobenzoate, (2S-cis)-
SpectraBase Compound ID JTwbOynznJR
InChI InChI=1S/C18H17NO6/c20-18(14-6-8-15(9-7-14)19(21)22)24-12-17-16(25-17)11-23-10-13-4-2-1-3-5-13/h1-9,16-17H,10-12H2/t16-,17-/m0/s1
InChIKey XBAOYRZETQXAAE-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 Ca3SzFTkLWn
Name Oxiranemethanol, 3-[(phenylmethoxy)methyl]-, 4-nitrobenzoate, (2S-cis)-
Alternate Name(s) 4-(benzyloxy-2,3-epoxy-1-butyl) ester of (2R,3S)-p-nitrobenzoic acid Oxiranemethanol, 3-[(phenylmethoxy)methyl]-, 4-nitrobenzoate, (2S-trans)- 4-(benzyloxy-2,3-epoxy-1-butyl) ester of (2S,3R)-p-nitrobenzoic acid 4-Benzyloxy-2,3-epoxy-1-butyl ester of (2S,3S)-p-nitrobenzoic acid {(2S,3S)-3-[(benzyloxy)methyl]oxiranyl}methyl 4-nitrobenzoate 4-Nitrobenzoic acid [(2S,3S)-3-(phenylmethoxymethyl)-2-oxiranyl]methyl ester [(2S,3S)-3-(benzyloxymethyl)oxiran-2-yl]methyl 4-nitrobenzoate [(2S,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]methyl 4-nitrobenzoate
CAS Registry Number 78513-13-0
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)24-12-17-16(25-17)11-23-10-13-4-2-1-3-5-13/h1-9,16-17H,10-12H2/t16-,17-/m0/s1
InChIKey XBAOYRZETQXAAE-IRXDYDNUSA-N
Molecular Weight 343.335 g/mol
SMILES [C@@]1(O[C@]1(COCc1ccccc1)[H])(COC(c1ccc(N(=O)=O)cc1)=O)[H]
SPLASH splash10-0f6x-8900000000-17c266ff867103d9167b
Source of Spectrum H-64-697-0
Wiley ID 1337240