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

*Links on SpectraBase are not permalinks.

2-[(S)-N-(4,7,7-Trimethyl-2-oxa-3-oxobicyclo[2.2.1]heptylamido)deuteriomethyl]-3-(methoxycarbonylmethyl)-4-(methoxycarbonylethyl)pyrrole

View entire compound with spectra: 1 MS (GC)

2-[(S)-N-(4,7,7-Trimethyl-2-oxa-3-oxobicyclo[2.2.1]heptylamido)deuteriomethyl]-3-(methoxycarbonylmethyl)-4-(methoxycarbonylethyl)pyrrole
SpectraBase Compound ID BytFgPUxNPv
InChI InChI=1S/C22H30N2O7/c1-20(2)21(3)8-9-22(20,31-19(21)28)18(27)24-12-15-14(10-17(26)30-5)13(11-23-15)6-7-16(25)29-4/h11,23H,6-10,12H2,1-5H3,(H,24,27)/t21-,22+/m1/s1/i12D/t12?,21-,22+
InChIKey MZYQYFIBFFPSBN-CIOXPVHWSA-N
Mol Weight 435.5 g/mol
Molecular Formula C22H29DN2O7
Exact Mass 435.211578 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 DUOjhNqvvGk
Name 2-[(S)-N-(4,7,7-Trimethyl-2-oxa-3-oxobicyclo[2.2.1]heptylamido)deuteriomethyl]-3-(methoxycarbonylmethyl)-4-(methoxycarbonylethyl)pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29DN2O7
InChI InChI=1S/C22H30N2O7/c1-20(2)21(3)8-9-22(20,31-19(21)28)18(27)24-12-15-14(10-17(26)30-5)13(11-23-15)6-7-16(25)29-4/h11,23H,6-10,12H2,1-5H3,(H,24,27)/t21-,22+/m1/s1/i12D/t12?,21-,22+
InChIKey MZYQYFIBFFPSBN-CIOXPVHWSA-N
Molecular Weight 435.495 g/mol
SMILES N(C([C@@]12OC(=O)[C@@](C2(C)C)(C)CC1)=O)C(c1c(c(CCC(=O)OC)c[nH]1)CC(=O)OC)[D]
SPLASH splash10-00di-0092000000-80c76690d069a56d0faf
Source of Spectrum KC-0-2684-22
Synonyms 2-[(S)-N-(4,7,7-Trimethyl-2-oxa-3-oxocyclo[2.2.1]heptylamido)deuteriomethyl]-3-(methoxycarbonylmethyl)-4-(methoxycarbonylethyl)pyrrole
Wiley ID 829142