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Tricyclo[4.2.0.0(2,4)]octan-5-ol, 4-nitrobenzoate, (1.alpha.,2.beta.,4.beta.,5.alpha.,6.alpha.)-
SpectraBase Compound ID KenZXpgewuR
InChI InChI=1S/C15H15NO4/c17-15(8-1-3-9(4-2-8)16(18)19)20-14-11-6-5-10(11)12-7-13(12)14/h1-4,10-14H,5-7H2/t10-,11+,12+,13+,14-/m1/s1
InChIKey XFYNKJPLHHQMCC-IKOXMDCHSA-N
Mol Weight 273.29 g/mol
Molecular Formula C15H15NO4
Exact Mass 273.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JupHPo3iPMy
Name Tricyclo[4.2.0.0(2,4)]octan-5-ol, 4-nitrobenzoate, (1.alpha.,2.beta.,4.beta.,5.alpha.,6.alpha.)-
CAS Registry Number 53600-58-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15NO4
InChI InChI=1S/C15H15NO4/c17-15(8-1-3-9(4-2-8)16(18)19)20-14-11-6-5-10(11)12-7-13(12)14/h1-4,10-14H,5-7H2/t10-,11+,12+,13+,14-/m1/s1
InChIKey XFYNKJPLHHQMCC-IKOXMDCHSA-N
Molecular Weight 273.288 g/mol
SMILES [C@]12([C@@]([C@@]3(CC[C@@]3([C@]2(OC(c2ccc(N(=O)=O)cc2)=O)[H])[H])[H])([H])C1)[H]
SPLASH splash10-004i-9300000000-1a533383beb9b5e02274
Source of Spectrum EP-6053-0-0
Synonyms (1S,2S,4S,5R,6S)-tricyclo[4.2.0.0(2,4)]oct-5-yl 4-nitrobenzoate 1.alpha.,2,4.beta.,6.alpha.-tricyclo(4.2.0.0(2-4))octa-5.alpha.-yl-p-nitrobenzoate cis 2-(p-nitrobenzoxy)tricyclo(4.2.0.0(3,5))octane Tricyclo[4.2.0.0(2,4)]octan-5-ol, 4-nitrobenzoate, (1alpha,2beta,4beta,5alpha,6alpha)-
Wiley ID 1277206