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(2S,2aS,4aS,6S,7aR,7bR)-6-[(1R,2S)-2-(Phenylcyclohexyl)oxy]octahydro-7b-methyl-1,7a-dioxa-7a-azacyclopenta[cd]indene-2-carboxylic Acid Methyl Ester
SpectraBase Compound ID H41qdrWrtWd
InChI InChI=1S/C23H31NO5/c1-23-16-12-13-18(23)21(22(25)26-2)29-24(23)28-20(14-16)27-19-11-7-6-10-17(19)15-8-4-3-5-9-15/h3-5,8-9,16-21H,6-7,10-14H2,1-2H3/t16-,17-,18+,19+,20-,21-,23+/m0/s1
InChIKey XGCDSOUVOLRBLD-VFVKXDCKSA-N
Mol Weight 401.5 g/mol
Molecular Formula C23H31NO5
Exact Mass 401.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwHB5AXoyNF
Name (2S,2aS,4aS,6S,7aR,7bR)-6-[(1R,2S)-2-(Phenylcyclohexyl)oxy]octahydro-7b-methyl-1,7a-dioxa-7a-azacyclopenta[cd]indene-2-carboxylic Acid Methyl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31NO5
InChI InChI=1S/C23H31NO5/c1-23-16-12-13-18(23)21(22(25)26-2)29-24(23)28-20(14-16)27-19-11-7-6-10-17(19)15-8-4-3-5-9-15/h3-5,8-9,16-21H,6-7,10-14H2,1-2H3/t16-,17-,18+,19+,20-,21-,23+/m0/s1
InChIKey XGCDSOUVOLRBLD-VFVKXDCKSA-N
Molecular Weight 401.503 g/mol
SMILES [C@]12(N3O[C@@](C[C@@]1(CC[C@]2([H])[C@](O3)(C(=O)OC)[H])[H])(O[C@]1([C@](c2ccccc2)(CCCC1)[H])[H])[H])C
SPLASH splash10-052f-9400000000-d035628724e43cd48323
Source of Spectrum J-58-1870-14-alpha
Synonyms (2S,2aS,4aS,6S,7bR)-6-[(1R,2S)-2-(Phenylcyclohexyl)oxy]octahydro-7b-methyl-1,7-dioxa-7a-azacyclopenta[cd]indene-2-carboxylic Acid Methyl Ester
Wiley ID 1390829