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[(1R,4S,5R)-4-benzyloxy-5-formyloxy-2-nitro-cyclopent-2-en-1-yl]methyl benzoate
SpectraBase Compound ID 3LICSoe3K0b
InChI InChI=1S/C21H19NO7/c23-14-29-20-17(13-28-21(24)16-9-5-2-6-10-16)18(22(25)26)11-19(20)27-12-15-7-3-1-4-8-15/h1-11,14,17,19-20H,12-13H2/t17-,19-,20+/m0/s1
InChIKey TUIHUTFNEDLDFC-YSIASYRMSA-N
Mol Weight 397.38 g/mol
Molecular Formula C21H19NO7
Exact Mass 397.116152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0YIbQlqaV2
Name [(1R,4S,5R)-4-benzyloxy-5-formyloxy-2-nitro-cyclopent-2-en-1-yl]methyl benzoate
CAS Registry Number 131682-09-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO7
InChI InChI=1S/C21H19NO7/c23-14-29-20-17(13-28-21(24)16-9-5-2-6-10-16)18(22(25)26)11-19(20)27-12-15-7-3-1-4-8-15/h1-11,14,17,19-20H,12-13H2/t17-,19-,20+/m0/s1
InChIKey TUIHUTFNEDLDFC-YSIASYRMSA-N
Molecular Weight 397.383 g/mol
SMILES C=1([C@@]([C@@](OC=O)([C@](C1)(OCc1ccccc1)[H])[H])(COC(=O)c1ccccc1)[H])N(=O)=O
SPLASH splash10-052f-9500000000-f0176fa73a73a0923334
Source of Spectrum F-46-7466-12
Synonyms [(1R,4S,5R)-5-formyloxy-2-nitro-4-phenylmethoxycyclopent-2-en-1-yl]methyl benzoate [(1R,4S,5R)-5-methanoyloxy-2-nitro-4-phenylmethoxy-cyclopent-2-en-1-yl]methyl benzoate benzoic acid [(1R,4S,5R)-5-formyloxy-2-nitro-4-phenylmethoxy-1-cyclopent-2-enyl]methyl ester
Wiley ID 1367947