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O-(1-(-)-menthyloxycarbonyl) p-nitrowarfarin
SpectraBase Compound ID 7c7ZaDjHtpJ
InChI InChI=1S/C30H33NO8/c1-17(2)22-14-9-18(3)15-26(22)38-30(34)39-28-23-7-5-6-8-25(23)37-29(33)27(28)24(16-19(4)32)20-10-12-21(13-11-20)31(35)36/h5-8,10-13,17-18,22,24,26H,9,14-16H2,1-4H3
InChIKey IXXIHDBGKLURDL-UHFFFAOYSA-N
Mol Weight 535.6 g/mol
Molecular Formula C30H33NO8
Exact Mass 535.220617 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5q3HEw4TsFe
Name O-(1-(-)-menthyloxycarbonyl) p-nitrowarfarin
CAS Registry Number 95041-42-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H33NO8
InChI InChI=1S/C30H33NO8/c1-17(2)22-14-9-18(3)15-26(22)38-30(34)39-28-23-7-5-6-8-25(23)37-29(33)27(28)24(16-19(4)32)20-10-12-21(13-11-20)31(35)36/h5-8,10-13,17-18,22,24,26H,9,14-16H2,1-4H3
InChIKey IXXIHDBGKLURDL-UHFFFAOYSA-N
Molecular Weight 535.593 g/mol
SMILES C1(=C(c2ccccc2OC1=O)OC(OC1C(CCC(C1)C)C(C)C)=O)C(c1ccc(N(=O)=O)cc1)CC(=O)C
SPLASH splash10-053v-9100000000-2d1e0b354582fbeec177
Source of Spectrum O-21-813-3
Synonyms 2-Isopropyl-5-methylcyclohexyl 3-(1-(4-nitrophenyl)-3-oxobutyl)-coumarin-4-yl carbonate 2-isopropyl-5-methylcyclohexyl 3-[1-(4-nitrophenyl)-3-oxobutyl]-2-oxo-2H-chromen-4-yl carbonate
Wiley ID 1403960