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9H-fluoren-9-ylmethyl 13-oxo-5-propyl-1-oxa-4-azacyclotridec-8-ene-4-carboxylate
SpectraBase Compound ID BUEsUhiAWE4
InChI InChI=1S/C29H35NO4/c1-2-12-22-13-6-4-3-5-7-18-28(31)33-20-19-30(22)29(32)34-21-27-25-16-10-8-14-23(25)24-15-9-11-17-26(24)27/h3-4,8-11,14-17,22,27H,2,5-7,12-13,18-21H2,1H3/b4-3-
InChIKey RGWLUYGWFTYLLC-ARJAWSKDSA-N
Mol Weight 461.6 g/mol
Molecular Formula C29H35NO4
Exact Mass 461.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CW1d9blkuwA
Name 9H-fluoren-9-ylmethyl 13-oxo-5-propyl-1-oxa-4-azacyclotridec-8-ene-4-carboxylate
Alternate Name(s) (8Z)-13-oxo-5-propyl-1-oxa-4-azacyclotridec-8-ene-4-carboxylic acid 9H-fluoren-9-ylmethyl ester 9H-fluoren-9-ylmethyl (8Z)-13-oxo-5-propyl-1-oxa-4-azacyclotridec-8-ene-4-carboxylate 9H-fluoren-9-ylmethyl (8Z)-13-oxidanylidene-5-propyl-1-oxa-4-azacyclotridec-8-ene-4-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C29H35NO4
InChI InChI=1S/C29H35NO4/c1-2-12-22-13-6-4-3-5-7-18-28(31)33-20-19-30(22)29(32)34-21-27-25-16-10-8-14-23(25)24-15-9-11-17-26(24)27/h3-4,8-11,14-17,22,27H,2,5-7,12-13,18-21H2,1H3/b4-3-
InChIKey RGWLUYGWFTYLLC-ARJAWSKDSA-N
Molecular Weight 461.602 g/mol
SMILES C1(c2c(cccc2)-c2c1cccc2)COC(N1C(CCC)CC\C=C/CCCC(OCC1)=O)=O
SPLASH splash10-004i-0900000000-e3b97aaf10df3b56d099
Source of Spectrum SO-0-801-12
Wiley ID 874580