For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-[1(S)-(tert-Butoxycarbonyl)-2-methylbutyl]-5-(hydroxymethyl)-2,3,6,7-tetrahydro-1H-azepine-2-one
SpectraBase Compound ID 6oWnzg2E2SL
InChI InChI=1S/C17H29NO4/c1-6-12(2)15(16(21)22-17(3,4)5)18-10-9-13(11-19)7-8-14(18)20/h7,12,15,19H,6,8-11H2,1-5H3/t12?,15-/m0/s1
InChIKey UEWQEXAPBFOKIX-CVRLYYSRSA-N
Mol Weight 311.42 g/mol
Molecular Formula C17H29NO4
Exact Mass 311.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DvypRcUa66v
Name 1-[1(S)-(tert-Butoxycarbonyl)-2-methylbutyl]-5-(hydroxymethyl)-2,3,6,7-tetrahydro-1H-azepine-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H29NO4
InChI InChI=1S/C17H29NO4/c1-6-12(2)15(16(21)22-17(3,4)5)18-10-9-13(11-19)7-8-14(18)20/h7,12,15,19H,6,8-11H2,1-5H3/t12?,15-/m0/s1
InChIKey UEWQEXAPBFOKIX-CVRLYYSRSA-N
Molecular Weight 311.422 g/mol
SMILES OCC=1CCN([C@](C(OC(C)(C)C)=O)(C(CC)C)[H])C(CC1)=O
SPLASH splash10-03di-0290000000-b604c42509d400133da7
Source of Spectrum E1-40-913-18
Synonyms 1-[1(S),2(S)-(tert-Butoxycarbonyl)-2-methylbutyl]-5-(hydroxymethyl)-2,3,6,7-tetrahydro-1H-azepine-2-one tert-Butyl (2S,3R)-2-[5-(hydroxymethyl)-2-oxo-2,3,6,7-tetrahydro-1H-azepin-1-yl]-3-methylpentanoate
Wiley ID 1599216