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Benzenepropanamide, .alpha.-(dimethylamino)-N-[2-methyl-1-[[3,3a,11,12,13,14,15,15a-octahydro-12,15-dioxo-13-(phenylmethyl)-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]carbonyl]butyl]-
SpectraBase Compound ID FeLYnx509hU
InChI InChI=1S/C39H47N5O5/c1-5-26(2)34(42-37(46)32(43(3)4)25-29-14-10-7-11-15-29)39(48)44-23-21-33-35(44)38(47)41-31(24-28-12-8-6-9-13-28)36(45)40-22-20-27-16-18-30(49-33)19-17-27/h6-20,22,26,31-35H,5,21,23-25H2,1-4H3,(H,40,45)(H,41,47)(H,42,46)/b22-20-
InChIKey BZXBQQGSSIQELG-XDOYNYLZSA-N
Mol Weight 665.8 g/mol
Molecular Formula C39H47N5O5
Exact Mass 665.35772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sst2ndW94Z
Name Benzenepropanamide, .alpha.-(dimethylamino)-N-[2-methyl-1-[[3,3a,11,12,13,14,15,15a-octahydro-12,15-dioxo-13-(phenylmethyl)-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]carbonyl]butyl]-
CAS Registry Number 38541-74-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H47N5O5
InChI InChI=1S/C39H47N5O5/c1-5-26(2)34(42-37(46)32(43(3)4)25-29-14-10-7-11-15-29)39(48)44-23-21-33-35(44)38(47)41-31(24-28-12-8-6-9-13-28)36(45)40-22-20-27-16-18-30(49-33)19-17-27/h6-20,22,26,31-35H,5,21,23-25H2,1-4H3,(H,40,45)(H,41,47)(H,42,46)/b22-20-
InChIKey BZXBQQGSSIQELG-XDOYNYLZSA-N
Molecular Weight 665.835 g/mol
SMILES N(C(C(N1C2C(NC(C(N\C=C/c3ccc(OC2CC1)cc3)=O)Cc1ccccc1)=O)=O)C(CC)C)C(=O)C(Cc1ccccc1)N(C)C
SPLASH splash10-0002-2900000000-c36490a735a1f9bf6265
Source of Spectrum K-105-3098-1
Wiley ID 1413742