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9,10-bis(N-phenylcarbamoyloxymethyl)tricyclo[6.2.2.0(1,8)]dodeca-9,11-diene
SpectraBase Compound ID CnQwpjPMVb7
InChI InChI=1S/C28H30N2O4/c31-25(29-21-11-5-3-6-12-21)33-19-23-24(20-34-26(32)30-22-13-7-4-8-14-22)28-16-10-2-1-9-15-27(23,28)17-18-28/h3-8,11-14,17-18H,1-2,9-10,15-16,19-20H2,(H,29,31)(H,30,32)
InChIKey OGQVGGTTZPUPSU-UHFFFAOYSA-N
Mol Weight 458.56 g/mol
Molecular Formula C28H30N2O4
Exact Mass 458.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LISDubiaGgt
Name 9,10-bis(N-phenylcarbamoyloxymethyl)tricyclo[6.2.2.0(1,8)]dodeca-9,11-diene
Alternate Name(s) (10-{[(anilinocarbonyl)oxy]methyl}tricyclo[6.2.2.0(1,8)]dodeca-9,11-dien-9-yl)methyl phenylcarbamate
CAS Registry Number 133947-61-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30N2O4
InChI InChI=1S/C28H30N2O4/c31-25(29-21-11-5-3-6-12-21)33-19-23-24(20-34-26(32)30-22-13-7-4-8-14-22)28-16-10-2-1-9-15-27(23,28)17-18-28/h3-8,11-14,17-18H,1-2,9-10,15-16,19-20H2,(H,29,31)(H,30,32)
InChIKey OGQVGGTTZPUPSU-UHFFFAOYSA-N
Molecular Weight 458.558 g/mol
SMILES N(C(OCC1=C(COC(Nc2ccccc2)=O)C23C1(CCCCCC3)C=C2)=O)c1ccccc1
SPLASH splash10-0udi-0090000000-56f901dccbc1b80a4690
Source of Spectrum K-124-1835-2
Wiley ID 1389954