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2-(p-Nitrobenzoyloxy)-8-methyl-13-oxatricyclo[7.3.2.0(3,8)]tetradecan-14-one
SpectraBase Compound ID AeaCTVKkjDc
InChI InChI=1S/C21H25NO6/c1-21-12-3-2-5-15(21)18(17-7-4-6-16(21)20(24)27-17)28-19(23)13-8-10-14(11-9-13)22(25)26/h8-11,15-18H,2-7,12H2,1H3/t15?,16-,17-,18?,21?/m0/s1
InChIKey FJUJGQMNYFARMT-KQPHDWAUSA-N
Mol Weight 387.43 g/mol
Molecular Formula C21H25NO6
Exact Mass 387.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14aIPsyVEiB
Name 2-(p-Nitrobenzoyloxy)-8-methyl-13-oxatricyclo[7.3.2.0(3,8)]tetradecan-14-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO6
InChI InChI=1S/C21H25NO6/c1-21-12-3-2-5-15(21)18(17-7-4-6-16(21)20(24)27-17)28-19(23)13-8-10-14(11-9-13)22(25)26/h8-11,15-18H,2-7,12H2,1H3/t15?,16-,17-,18?,21?/m0/s1
InChIKey FJUJGQMNYFARMT-KQPHDWAUSA-N
Molecular Weight 387.432 g/mol
SMILES [C@]12(C(C3CCCCC3([C@@](CCC1)(C(O2)=O)[H])C)OC(c1ccc(cc1)N(=O)=O)=O)[H]
SPLASH splash10-0zml-9350000000-3596feaa6dd624c035b3
Source of Spectrum D8-323-129-10
Synonyms 2-Methyl-13-oxo-14-oxatricyclo[7.3.2.0(2,7)]tetradec-8-yl 4-nitrobenzoate
Wiley ID 1513568